data_1g11_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 1g11 _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 ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.234 0.255 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 12.3 m-20 -139.57 -74.26 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.658 1.224 . . . . 0.0 109.302 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -161.29 128.7 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.175 . . . . 0.0 109.135 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.47 ' CG2' ' HB1' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -102.22 137.04 31.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.96 77.26 0.32 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.82 122.4 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.42 1.747 . . . . 0.0 111.196 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 4.8 mm -116.74 126.43 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.93 150.66 16.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 O-C-N 124.856 1.347 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -52.43 165.23 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 0.0 110.411 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.0 165.34 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.95 -87.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -177.95 155.15 0.96 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.552 0.795 . . . . 0.0 109.173 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 1.4 mp 67.8 16.69 9.73 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.697 1.248 . . . . 0.0 109.251 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -81.16 -12.73 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.491 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -74.26 -57.65 2.16 Favored Pre-proline 0 N--CA 1.45 -0.438 0 O-C-N 124.355 1.034 . . . . 0.0 110.138 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.8 Cg_endo -75.05 -15.34 20.69 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 124.409 1.742 . . . . 0.0 111.011 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 6.5 t -83.62 -42.1 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 28' ' ' GLU . 8.6 tp -67.22 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.376 1.047 . . . . 0.0 109.162 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' N ' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -65.39 -39.35 92.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.41 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 m -79.3 -26.12 42.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.76 1.287 . . . . 0.0 110.507 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.32 -16.6 48.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.2 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -89.16 -36.53 15.63 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.425 ' CG2' ' O ' ' A' ' 28' ' ' GLU . 1.1 pp -70.94 -31.31 44.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.176 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -58.61 -26.84 64.11 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.488 1.117 . . . . 0.0 109.211 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -115.79 146.21 36.36 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.486 1.116 . . . . 0.0 109.402 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 55.62 4.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.621 1.853 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.41 61.53 1.49 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.02 46.13 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.525 0.779 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 179.49 49.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.387 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 40' ' ' THR . 2.6 mp -130.12 163.87 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.4 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.493 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 5.6 m -132.86 143.14 49.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 42' ' ' GLU . 85.7 t -112.12 163.31 9.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' N ' HG13 ' A' ' 41' ' ' VAL . 3.2 mt-10 -147.28 70.77 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -93.16 109.07 20.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 109.228 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 15.9 tpt180 -81.39 -57.28 3.55 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.541 1.151 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 162.66 -47.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.237 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.65 -41.99 43.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 109.413 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -128.7 167.57 17.04 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.578 1.174 . . . . 0.0 111.166 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.78 117.36 50.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.365 1.041 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 27.1 ttt180 -119.79 148.95 42.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.33 1.018 . . . . 0.0 110.387 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.1 mt -134.42 168.55 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.234 0.959 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.28 82.24 1.65 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.75 1.281 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 13' ' ' VAL . . . -88.06 178.8 6.55 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.421 1.076 . . . . 0.0 109.205 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.3 tt0 -68.11 -54.43 18.19 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.76 -50.68 0.34 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.308 1.005 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -99.43 96.12 7.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 0.818 . . . . 0.0 110.333 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.44 HD23 ' CB ' ' A' ' 52' ' ' ALA . 2.0 mm? -126.9 164.72 20.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 0.0 109.374 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 57' ' ' ILE . 2.7 pp -148.54 116.83 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.65 140.96 42.87 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.639 1.212 . . . . 0.0 109.443 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.4 p -129.82 14.47 5.86 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.649 1.218 . . . . 0.0 110.333 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.05 33.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.508 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -22.11 61.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.672 1.232 . . . . 0.0 109.26 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -69.81 -48.17 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.399 1.062 . . . . 0.0 110.307 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -63.16 -34.12 76.95 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -22.13 47.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.725 1.265 . . . . 0.0 110.245 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -37.75 26.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.456 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -65.04 -40.3 94.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 110.353 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 35.3 mt -42.21 -28.43 0.19 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.275 0.984 . . . . 0.0 109.166 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.611 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.18 65.6 0.3 Allowed Glycine 0 CA--C 1.532 1.151 0 O-C-N 124.527 1.142 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.621 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 35.1 mtm180 -53.53 -43.56 95.98 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.622 0.836 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 17.9 Cg_endo -74.96 62.37 5.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.645 1.866 . . . . 0.0 111.109 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.16 -157.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.6 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -140.61 -166.25 2.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.562 1.164 . . . . 0.0 109.502 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.478 ' HA ' ' CD1' ' A' ' 76' ' ' LEU . 28.0 mtt -89.83 -17.34 28.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.434 1.083 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.77 -28.95 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.383 1.052 . . . . 0.0 110.225 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.58 -35.09 78.35 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.326 1.016 . . . . 0.0 110.136 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 73' ' ' MET . 3.9 mp -61.49 -59.43 5.24 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.58 -13.49 22.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 110.15 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -87.36 -44.1 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.404 1.065 . . . . 0.0 109.321 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -70.73 60.84 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.536 1.147 . . . . 0.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.05 141.94 47.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.47 -52.24 1.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.539 1.149 . . . . 0.0 109.391 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.418 ' N ' ' HB ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -166.12 170.99 12.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.66 1.225 . . . . 0.0 110.055 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -153.84 172.82 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.646 1.216 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.13 -45.14 1.02 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.348 1.03 . . . . 0.0 109.407 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.0 -146.26 10.12 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -111.2 177.07 4.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.442 0.731 . . . . 0.0 110.271 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -159.95 148.19 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 124.63 1.206 . . . . 0.0 109.376 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.423 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 28.6 mt-30 -143.17 117.87 9.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 110.367 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -96.16 151.3 19.61 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' CD ' ' A' ' 93' ' ' GLN . 10.0 t70 -119.15 -176.31 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 90' ' ' ASP . 6.2 pt-20 -34.15 -52.51 0.46 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.555 1.16 . . . . 0.0 110.197 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -149.72 59.75 1.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.349 1.031 . . . . 0.0 109.143 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.492 ' NE2' ' NE ' ' A' ' 95' ' ' ARG . 1.6 pt20 -163.63 164.99 23.86 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 124.596 1.185 . . . . 0.0 110.222 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -142.24 112.95 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.668 1.23 . . . . 0.0 109.316 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.492 ' NE ' ' NE2' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -110.79 132.8 53.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.601 1.188 . . . . 0.0 110.421 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.11 138.25 44.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.657 1.223 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 95' ' ' ARG . 46.2 m-85 -140.57 132.66 27.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 11' ' ' ASN . 3.6 t80 -88.2 -25.69 22.78 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.309 1.006 . . . . 0.0 109.477 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -139.31 -48.59 0.48 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.707 1.254 . . . . 0.0 109.246 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 179.94 147.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.271 0.982 . . . . 0.0 109.42 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.427 ' CG2' ' HA2' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -114.38 166.07 8.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.807 1.317 . . . . 0.0 109.494 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.2 85.28 0.13 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.271 0.982 . . . . 0.0 111.208 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.8 130.72 13.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.544 1.813 . . . . 0.0 111.062 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 8.9 mm -116.99 138.33 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.477 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 4.3 pt -157.45 -173.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.382 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -167.14 1.04 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.467 ' CB ' HG23 ' A' ' 48' ' ' VAL . . . -167.11 154.18 8.73 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.04 64.4 0.27 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.591 1.182 . . . . 0.0 111.016 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -179.61 -147.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.643 0.849 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 2.3 mm? -89.64 27.71 1.45 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.436 1.085 . . . . 0.0 109.131 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.446 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 2.5 t -74.71 -9.47 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.728 1.267 . . . . 0.0 109.468 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.578 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.7 mt-10 -77.03 -60.81 0.75 Allowed Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.418 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.578 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.2 Cg_endo -75.02 -9.75 20.88 Favored 'Trans proline' 0 C--N 1.357 1.0 0 O-C-N 124.624 1.855 . . . . 0.0 110.973 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 23.9 t -90.16 -44.23 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.446 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 7.9 tp -70.11 -38.78 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 O-C-N 124.409 1.068 . . . . 0.0 109.213 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -45.03 81.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.0 m -73.93 -29.82 62.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.36 1.038 . . . . 0.0 110.45 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -74.95 -14.67 60.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.617 1.198 . . . . 0.0 109.204 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.26 -43.1 11.82 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' C ' ' CD1' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -66.81 -24.18 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.712 1.258 . . . . 0.0 109.152 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.62 -41.55 90.68 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 56' ' ' LEU . 6.3 t30 -98.86 141.71 23.36 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.315 1.009 . . . . 0.0 109.071 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 54.27 3.56 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.403 1.738 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.46 60.35 1.54 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.706 1.254 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 56.68 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.602 0.824 . . . . 0.0 109.133 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 179.08 43.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -125.66 154.91 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 39' ' ' ILE . 21.9 m -125.48 121.46 33.81 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.314 1.009 . . . . 0.0 110.413 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.9 t -91.22 149.69 4.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 124.462 1.102 . . . . 0.0 109.135 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.422 ' CB ' ' HG2' ' A' ' 49' ' ' ARG . 4.5 mt-10 -133.05 77.5 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.796 1.31 . . . . 0.0 110.41 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.61 100.37 12.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.652 1.22 . . . . 0.0 109.385 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -81.16 -71.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.655 1.222 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.04 -42.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.18 30.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.635 1.21 . . . . 0.0 109.474 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -136.72 169.8 17.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.721 1.263 . . . . 0.0 111.025 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 19' ' ' ALA . 3.3 t -123.6 126.26 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.053 . . . . 0.0 109.064 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.422 ' HG2' ' CB ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -134.45 154.54 51.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.614 1.196 . . . . 0.0 110.42 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mt -133.83 175.71 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.38 8.74 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.473 ' CB ' HG12 ' A' ' 39' ' ' ILE . . . -135.39 -175.44 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.598 1.186 . . . . 0.0 109.394 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -32.9 48.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.397 1.061 . . . . 0.0 110.359 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . 115.44 50.39 0.45 Allowed Glycine 0 CA--C 1.527 0.838 0 O-C-N 124.388 1.055 . . . . 0.0 111.083 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -178.46 87.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.448 0.734 . . . . 0.0 110.236 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' CD2' HD11 ' A' ' 39' ' ' ILE . 1.2 mt -134.57 176.1 8.94 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.819 1.324 . . . . 0.0 109.403 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.488 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -157.08 103.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.555 1.16 . . . . 0.0 109.257 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 mt -92.68 150.61 20.58 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.605 1.19 . . . . 0.0 109.3 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.0 p -134.88 8.96 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.281 0.988 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -84.18 45.46 1.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.681 1.238 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.28 -24.48 64.87 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.634 1.209 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -72.09 -34.46 68.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.469 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -42.47 72.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -25.81 55.58 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.16 -37.06 39.33 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.462 1.102 . . . . 0.0 110.101 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.481 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -69.84 -46.76 64.89 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 124.557 1.161 . . . . 0.0 110.393 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.5 mt -42.75 -28.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.415 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.603 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.75 65.36 0.31 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.559 1.162 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 29.2 mtp180 -53.8 -43.51 96.46 Favored Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.628 0.84 . . . . 0.0 110.44 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.82 62.18 5.65 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.414 1.744 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.63 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.23 -159.07 0.67 Allowed 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.68 1.237 . . . . 0.0 110.903 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.585 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -151.24 -165.13 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -80.72 -10.87 59.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.4 -36.47 84.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.99 -25.36 63.57 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.36 -54.03 39.35 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.533 1.146 . . . . 0.0 109.131 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.477 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.45 -30.56 69.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -69.57 -60.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.446 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 23.8 m-20 -71.1 81.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.526 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -162.57 173.78 13.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.344 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.64 -66.27 0.84 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -159.45 -165.25 1.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.405 ' CG ' ' O ' ' A' ' 82' ' ' SER . 41.5 m-85 -162.15 160.05 26.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.44 1.088 . . . . 0.0 110.919 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.11 7.18 9.18 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.69 -156.71 7.46 Favored Glycine 0 CA--C 1.533 1.171 0 O-C-N 124.225 0.953 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.14 165.74 11.37 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.517 0.775 . . . . 0.0 110.445 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.544 HD13 ' CE2' ' A' ' 96' ' ' PHE . 8.8 tt -152.2 147.13 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.667 1.229 . . . . 0.0 109.239 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.71 168.67 19.25 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.604 1.19 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.02 130.29 31.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.431 1.082 . . . . 0.0 109.164 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.482 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 2.8 t70 -103.97 -179.46 3.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.731 1.27 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 90' ' ' ASP . 9.5 pt-20 -33.51 -51.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.639 1.212 . . . . 0.0 110.213 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -151.17 61.77 0.9 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.57 1.169 . . . . 0.0 109.132 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.482 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -170.62 174.01 5.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.34 1.025 . . . . 0.0 110.368 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.1 tt -141.8 105.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.8 149.2 24.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.231 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.544 ' CE2' HD13 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -131.08 147.78 52.66 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.426 1.079 . . . . 0.0 110.902 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -176.86 165.74 2.47 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -114.73 -28.41 7.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.424 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -149.1 -88.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.719 1.262 . . . . 0.0 109.127 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -149.92 151.02 32.74 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.542 1.151 . . . . 0.0 109.398 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.427 HG22 ' CB ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -130.26 160.28 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.94 82.84 0.17 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.4 1.062 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 116.37 4.56 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.56 1.821 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.2 mm -100.87 108.72 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.31 172.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 124.389 1.056 . . . . 0.0 109.501 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.78 160.39 30.04 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.359 1.037 . . . . 0.0 110.178 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.63 151.35 21.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.394 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.03 -90.89 0.1 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -177.3 150.3 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.454 0.738 . . . . 0.0 109.545 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.509 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 0.3 OUTLIER 66.54 18.1 10.74 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 124.418 1.074 . . . . 0.0 109.482 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.402 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 1.7 t -79.92 -9.65 12.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.52 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -78.25 -58.0 0.86 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.392 1.057 . . . . 0.0 110.274 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.7 Cg_endo -75.2 -12.83 21.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.649 1.868 . . . . 0.0 110.866 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 15.1 t -87.04 -43.67 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 23' ' ' VAL . 8.0 tp -68.97 -43.34 82.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -43.11 99.53 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.2 m -72.43 -33.86 67.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.38 -15.67 62.38 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.501 1.125 . . . . 0.0 109.241 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -84.27 -38.0 21.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.377 1.048 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -24.82 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.474 1.109 . . . . 0.0 109.447 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -66.22 -25.03 66.72 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.74 168.93 10.75 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.257 0.973 . . . . 0.0 109.242 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 54.03 3.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.822 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.26 61.32 1.54 Allowed Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.502 1.126 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.27 39.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.697 0.881 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 179.4 37.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.9 mm -87.97 147.59 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.171 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -128.55 112.49 14.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.71 1.256 . . . . 0.0 110.457 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.8 t -96.54 163.07 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.393 1.058 . . . . 0.0 109.372 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -153.59 97.52 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -78.24 109.68 12.57 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.3 tpm_? -80.45 -69.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.343 1.027 . . . . 0.0 110.288 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 161.16 -55.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -84.53 -35.66 22.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.494 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 20.7 m-85 -135.85 165.9 24.56 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.687 1.242 . . . . 0.0 111.002 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -104.15 136.73 36.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 124.569 1.168 . . . . 0.0 109.224 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -122.42 136.37 54.88 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.505 1.128 . . . . 0.0 110.208 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.9 mt -127.43 168.31 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.23 128.9 18.2 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.583 1.177 . . . . 0.0 109.37 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.45 ' CB ' ' CD1' ' A' ' 56' ' ' LEU . . . -130.38 -172.92 2.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.595 1.184 . . . . 0.0 109.554 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -83.32 -46.13 12.97 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.515 1.134 . . . . 0.0 110.182 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.09 -51.83 0.29 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.532 1.145 . . . . 0.0 111.093 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.82 121.2 43.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 0.782 . . . . 0.0 110.181 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -137.13 173.21 11.93 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.425 1.078 . . . . 0.0 109.238 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -158.28 132.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.401 1.063 . . . . 0.0 109.442 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.427 ' C ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -134.35 158.26 44.26 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.64 1.213 . . . . 0.0 109.5 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.427 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 22.0 p -149.73 19.4 0.91 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.359 1.037 . . . . 0.0 110.212 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -87.55 46.21 1.36 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.444 1.09 . . . . 0.0 110.231 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -18.32 51.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.322 1.014 . . . . 0.0 109.444 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.6 t -74.1 -47.34 36.96 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.408 1.067 . . . . 0.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -65.07 -38.46 90.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -73.6 -33.29 64.53 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.612 1.195 . . . . 0.0 110.349 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.13 -39.76 71.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -65.72 -49.36 68.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 124.33 1.019 . . . . 0.0 110.353 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -42.86 -27.77 0.21 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.622 1.201 . . . . 0.0 109.188 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.83 65.19 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.376 1.048 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.1 mtt-85 -53.83 -43.46 96.43 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.547 0.792 . . . . 0.0 110.416 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.1 Cg_endo -74.93 62.16 5.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.635 1.861 . . . . 0.0 111.067 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.15 -157.73 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 110.958 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.588 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -163.58 -169.83 2.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -75.12 -14.25 60.55 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 124.693 1.246 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -44.77 95.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.417 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 2.1 mt-10 -63.3 -32.98 74.54 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.517 1.135 . . . . 0.0 110.199 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -48.56 75.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 14.9 tt0 -51.38 -32.66 26.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.279 0.987 . . . . 0.0 110.279 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -89.82 -30.77 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 75' ' ' GLU . 19.1 m120 -70.2 60.52 0.19 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 124.488 1.117 . . . . 0.0 109.197 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -159.43 80.44 0.74 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.725 1.266 . . . . 0.0 109.428 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.85 -41.81 58.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.783 1.302 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.478 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -166.57 -170.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.191 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CD1' ' O ' ' A' ' 82' ' ' SER . 11.2 m-85 -163.33 151.83 13.95 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.625 1.203 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -109.28 -16.95 13.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.329 1.018 . . . . 0.0 109.402 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.22 -138.84 3.66 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.507 1.129 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -122.4 156.94 32.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.666 0.863 . . . . 0.0 110.314 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.536 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 7.5 tt -131.4 158.37 43.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -143.41 169.14 18.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.469 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.32 138.52 25.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.213 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.479 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 2.5 t70 -108.93 179.66 4.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.49 -47.84 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.115 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.54 64.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.162 . . . . 0.0 109.337 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.479 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -173.28 167.14 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.624 1.203 . . . . 0.0 110.245 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.439 ' N ' ' OE1' ' A' ' 93' ' ' GLN . 1.4 tt -142.92 122.21 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.706 1.254 . . . . 0.0 109.341 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.37 167.82 13.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 1.186 . . . . 0.0 110.219 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CE2' ' HB ' ' A' ' 87' ' ' ILE . 25.5 m-85 -129.41 157.15 42.76 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.429 1.081 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 8.9 p90 -163.88 129.67 3.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.68 1.237 . . . . 0.0 110.975 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -90.66 -28.28 18.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.35 1.031 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.564 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.505 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 10.3 m-20 -161.68 -69.74 0.06 Allowed 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.426 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 52' ' ' ALA . 1.8 p30 -172.9 146.69 1.58 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.609 1.193 . . . . 0.0 109.196 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 98' ' ' PHE . 1.8 m -102.39 138.08 27.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -126.76 78.28 0.38 Allowed Glycine 0 CA--C 1.527 0.844 0 O-C-N 124.339 1.025 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.14 137.81 21.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 5.7 mm -126.38 127.79 70.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 pt -141.26 -161.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 109.425 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -111.85 163.27 14.38 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.255 0.972 . . . . 0.0 110.347 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -84.99 106.36 16.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 1.128 . . . . 0.0 109.215 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.14 -85.98 0.96 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.681 1.238 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.96 130.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 0.0 109.208 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.471 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 0.3 OUTLIER 66.16 20.99 11.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.412 1.07 . . . . 0.0 109.496 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.3 t -78.81 -12.14 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.398 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.525 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -74.67 -58.25 1.78 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.772 1.295 . . . . 0.0 110.484 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.8 Cg_endo -75.09 -13.0 21.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.61 1.847 . . . . 0.0 111.014 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 63' ' ' LEU . 5.9 t -86.09 -40.31 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 O-C-N 124.369 1.043 . . . . 0.0 109.445 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 28' ' ' GLU . 8.8 tp -73.25 -43.52 56.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' N ' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -63.23 -37.21 86.33 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.671 1.232 . . . . 0.0 110.421 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.3 m -81.87 -28.56 32.91 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.32 1.012 . . . . 0.0 110.336 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -77.95 -17.05 57.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.12 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.1 -40.52 14.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.683 1.239 . . . . 0.0 110.377 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 pt -64.97 -34.08 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.377 1.048 . . . . 0.0 109.342 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.494 ' OD1' ' CZ ' ' A' ' 60' ' ' ARG . 19.4 t0 -47.58 -26.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.423 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.41 158.85 43.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.223 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 53.35 3.37 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.463 1.77 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.85 61.29 1.4 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 50.23 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.23 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 178.95 51.23 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 124.418 1.073 . . . . 0.0 110.327 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 52' ' ' ALA . 21.1 mt -117.1 144.44 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.661 1.226 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.429 ' N ' HG23 ' A' ' 39' ' ' ILE . 80.9 m -116.91 111.92 20.32 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.568 1.167 . . . . 0.0 110.359 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -92.3 158.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.338 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.36 72.08 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.549 1.156 . . . . 0.0 110.215 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -93.03 111.12 22.64 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 4.8 tpt180 -81.04 -60.19 2.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.428 1.08 . . . . 0.0 110.299 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 160.16 -50.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.375 1.047 . . . . 0.0 110.324 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 47' ' ' TYR . . . -79.28 -22.26 44.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.38 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 18.9 m-85 -144.22 174.54 10.8 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.26 0.975 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.2 t -129.11 128.98 67.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 59.8 ttt-85 -128.14 157.26 41.27 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.407 1.067 . . . . 0.0 110.276 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 43.1 mt -145.97 161.0 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 124.768 1.292 . . . . 0.0 109.181 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.55 122.12 1.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.772 1.295 . . . . 0.0 109.009 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' A' ' 12' ' ' ASN . . . -174.19 -169.53 0.47 Allowed 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 124.375 1.047 . . . . 0.0 109.234 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.98 153.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.416 ' N ' ' HA ' ' A' ' 12' ' ' ASN . . . -103.08 49.01 0.98 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.684 1.24 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -173.41 85.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.136 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 175.81 8.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -151.87 140.13 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.414 ' C ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -130.09 161.0 32.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 124.413 1.07 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.414 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 31.4 p -150.28 20.06 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.618 1.199 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.494 ' CZ ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -87.73 42.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 110.476 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.06 64.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -73.48 -34.19 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.245 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD21 ' CG1' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -70.54 -46.57 63.34 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.562 1.164 . . . . 0.0 109.548 179.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -37.56 82.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' ARG . 4.9 mt-10 -68.05 -41.07 82.58 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.489 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 mt-30 -63.0 -51.03 68.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 110.144 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.6 mt -41.73 -28.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.351 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.67 65.84 0.3 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 8.1 mtm180 -53.95 -43.43 96.68 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 124.418 0.717 . . . . 0.0 110.186 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 17.8 Cg_endo -75.09 61.82 5.81 Favored 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.672 1.88 . . . . 0.0 110.866 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.03 -160.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 0.0 111.007 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.586 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -144.78 -165.27 2.11 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -14.42 49.01 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.47 1.106 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.45 -33.41 74.77 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.606 1.191 . . . . 0.0 110.293 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.98 -28.69 65.74 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.38 1.05 . . . . 0.0 110.305 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.5 -52.0 65.2 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.67 -11.52 60.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.98 -44.13 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.679 1.237 . . . . 0.0 109.412 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.09 62.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.688 1.243 . . . . 0.0 109.207 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pp -151.85 154.4 36.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.246 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.87 -57.21 2.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.492 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -157.95 -166.05 1.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 110.057 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 82' ' ' SER . 42.1 m-85 -163.59 157.23 19.22 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.416 1.072 . . . . 0.0 111.099 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -110.03 -2.73 16.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.227 0.954 . . . . 0.0 109.4 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.12 -144.76 4.0 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.485 1.116 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -120.65 165.92 14.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.682 0.871 . . . . 0.0 110.335 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -147.61 134.5 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.742 1.276 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -127.2 157.67 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.388 1.055 . . . . 0.0 110.101 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.09 142.17 51.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.397 1.061 . . . . 0.0 109.416 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 93' ' ' GLN . 4.1 t0 -105.31 -177.74 3.45 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.666 1.228 . . . . 0.0 109.299 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.56 -49.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -153.35 61.46 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.365 1.041 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.464 ' CD ' ' CB ' ' A' ' 90' ' ' ASP . 1.2 pt20 -168.7 167.44 11.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.408 1.068 . . . . 0.0 110.097 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.2 tp -138.16 122.81 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.468 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.95 144.72 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.396 1.06 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -115.94 146.95 41.65 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -165.82 162.22 18.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 51.4 t80 -131.74 83.3 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.579 0 O-C-N 124.526 1.141 . . . . 0.0 109.145 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -144.32 -78.57 0.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -158.19 127.14 5.62 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.534 1.146 . . . . 0.0 109.233 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 98' ' ' PHE . 3.5 m -89.69 177.03 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.658 1.224 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' CA ' ' HB2' ' A' ' 84' ' ' ALA . . . -172.41 71.44 0.1 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.302 1.001 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.18 135.5 18.84 Favored 'Trans proline' 0 C--N 1.362 1.258 0 O-C-N 124.362 1.717 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 9.3 mm -124.8 140.9 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 124.386 1.053 . . . . 0.0 109.1 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 11.4 pt -153.71 -171.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.209 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.58 153.31 20.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.43 129.46 38.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.078 . . . . 0.0 109.436 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.29 -87.94 2.02 Favored Glycine 0 CA--C 1.528 0.866 0 O-C-N 124.693 1.246 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -179.95 134.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.507 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 1.3 mt 66.21 19.69 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.394 1.058 . . . . 0.0 109.536 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.4 t -79.11 -9.54 12.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.511 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -79.58 -57.7 0.69 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.294 0.996 . . . . 0.0 110.356 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -75.03 -11.28 21.41 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.244 1.655 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 22.1 t -89.88 -44.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.518 1.136 . . . . 0.0 109.488 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 5.0 tp -68.36 -32.35 55.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -41.67 62.97 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.424 1.077 . . . . 0.0 110.202 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 m -77.57 -24.39 49.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.625 1.203 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.51 -32.29 36.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.455 1.097 . . . . 0.0 109.397 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 27' ' ' ILE . 13.0 mm-40 -70.2 -44.69 68.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.337 1.023 . . . . 0.0 110.229 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 33' ' ' ASP . 21.6 pt -61.22 -40.91 87.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.408 1.067 . . . . 0.0 109.38 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 32' ' ' ILE . 7.8 t70 -52.11 -27.63 14.79 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.417 1.073 . . . . 0.0 109.465 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -112.06 156.84 41.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 47.99 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.405 1.739 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.51 59.96 1.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.59 43.04 1.08 Allowed 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 124.607 0.828 . . . . 0.0 109.393 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.27 38.83 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.584 1.178 . . . . 0.0 110.156 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 HD13 ' CD1' ' A' ' 56' ' ' LEU . 11.6 mm -94.23 150.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.434 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -112.42 112.11 23.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.398 1.061 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.9 t -112.46 146.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -130.9 68.67 1.48 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -82.96 105.09 13.68 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 20.6 tpt180 -80.24 -58.19 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.136 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 162.33 -48.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.32 -31.07 25.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.396 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -126.03 171.65 10.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.1 t -131.51 105.3 10.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 124.526 1.141 . . . . 0.0 109.233 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -97.97 149.89 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.675 1.235 . . . . 0.0 110.271 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.6 mt -145.24 162.2 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 O-C-N 124.408 1.067 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -157.92 154.78 28.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.62 1.2 . . . . 0.0 109.387 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 13' ' ' VAL . . . -145.42 151.25 37.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.18 50.47 1.86 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.536 1.148 . . . . 0.0 110.195 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.78 -83.36 0.2 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.618 1.199 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -161.02 177.5 10.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.708 0.887 . . . . 0.0 110.22 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 39' ' ' ILE . 87.6 mt -151.26 -175.09 5.03 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.362 1.039 . . . . 0.0 109.255 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.5 tp -149.54 127.45 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.263 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.19 138.65 54.11 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.618 1.199 . . . . 0.0 109.431 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.3 p -133.74 8.16 3.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.61 40.2 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.199 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -23.58 44.63 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.566 1.166 . . . . 0.0 109.389 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 63' ' ' LEU . 2.3 t -72.64 -41.63 65.29 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 124.243 0.964 . . . . 0.0 110.403 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -66.72 -33.02 74.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.352 1.032 . . . . 0.0 109.426 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.76 -20.78 30.51 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.566 1.166 . . . . 0.0 110.261 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.64 -33.12 23.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.466 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.2 mt-30 -76.76 -45.33 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.608 1.192 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.7 mt -44.53 -26.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -154.77 64.99 0.33 Allowed Glycine 0 CA--C 1.533 1.159 0 O-C-N 124.438 1.086 . . . . 0.0 110.926 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.637 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 28.6 mtm105 -55.61 -42.85 98.16 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.558 0.799 . . . . 0.0 110.2 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.95 62.42 5.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.701 1.895 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.14 -159.15 0.74 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 110.956 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.55 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.23 -160.5 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 109.185 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.7 ptp -75.15 -20.48 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.35 1.031 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.97 -58.5 7.9 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.594 1.184 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.46 -33.28 20.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.34 1.025 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.09 -52.26 66.28 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.582 1.176 . . . . 0.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -80.52 -28.08 37.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.691 1.245 . . . . 0.0 110.365 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 79' ' ' ASN . 0.5 OUTLIER -70.34 -64.14 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.665 1.228 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.458 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 97.1 m-20 -72.61 85.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -160.34 170.05 21.86 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.635 1.209 . . . . 0.0 109.321 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.96 -71.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.441 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -151.98 -162.92 1.62 Allowed 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 124.563 1.164 . . . . 0.0 109.996 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 82' ' ' SER . 40.4 m-85 -166.54 167.88 15.15 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.454 ' HB2' ' CA ' ' A' ' 14' ' ' GLY . . . -116.61 -38.83 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.23 -155.05 10.41 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.58 1.175 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -108.92 165.31 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 110.174 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.502 ' CG2' ' CE1' ' A' ' 96' ' ' PHE . 5.8 pt -136.96 147.3 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 O-C-N 124.517 1.136 . . . . 0.0 109.144 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -142.27 152.54 43.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.49 132.51 51.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 109.246 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.485 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 17.3 t0 -101.41 -176.74 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.635 1.209 . . . . 0.0 109.225 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -33.93 -46.16 0.22 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.502 1.127 . . . . 0.0 110.198 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.05 60.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.394 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.485 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 2.2 pt20 -166.77 170.07 12.75 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 tt -143.35 104.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.377 1.048 . . . . 0.0 109.253 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 140.48 30.02 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.502 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 2.5 m-30 -117.61 147.39 42.9 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.651 1.219 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 8.6 p90 -171.04 151.46 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.37 1.044 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.467 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 56.5 t80 -112.91 92.58 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.64 1.213 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.319 1.012 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.7 p30 . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -157.06 -87.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.45 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -147.63 130.76 16.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 109.409 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.463 HG11 ' CB ' ' A' ' 98' ' ' PHE . 28.0 m -90.22 -177.58 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 O-C-N 124.339 1.024 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.418 ' CA ' ' HB1' ' A' ' 84' ' ' ALA . . . -177.06 92.01 0.09 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.44 1.087 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.432 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 18.0 Cg_endo -75.21 127.37 10.49 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.544 1.813 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -111.27 89.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 124.463 1.102 . . . . 0.0 109.228 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.5 pt -115.58 -175.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 109.226 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.88 -167.27 1.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 46' ' ' ALA . . . -120.34 97.52 5.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.12 -86.91 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.072 . . . . 0.0 111.05 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -179.88 137.01 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.819 0.952 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.515 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 0.4 OUTLIER 66.52 18.39 10.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.333 1.021 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.401 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 1.3 t -78.68 -10.56 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.594 1.184 . . . . 0.0 109.389 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.521 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -76.9 -58.55 1.04 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 110.476 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.5 Cg_endo -74.87 -11.93 21.76 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.275 1.671 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 17.7 t -88.64 -41.46 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.454 ' CD1' HD13 ' A' ' 50' ' ' ILE . 1.9 tp -72.98 -36.54 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.478 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -33.98 66.13 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.405 ' O ' HG12 ' A' ' 32' ' ' ILE . 95.0 m -83.07 -28.09 29.8 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 124.389 1.055 . . . . 0.0 110.301 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.94 -18.39 56.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.643 1.214 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -84.67 -41.65 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 29' ' ' THR . 9.8 pt -62.65 -35.68 71.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.309 1.006 . . . . 0.0 109.123 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 32' ' ' ILE . 6.7 t70 -48.74 -26.4 2.32 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.627 1.204 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -117.47 170.19 6.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.87 54.2 3.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.352 1.711 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.36 62.68 1.44 Allowed Glycine 0 CA--C 1.527 0.786 0 O-C-N 124.452 1.095 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 44.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 0.716 . . . . 0.0 109.4 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.39 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.45 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 31.6 mm -83.46 149.11 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.2 m -127.5 111.42 13.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.407 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.3 t -101.84 158.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.33 84.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.3 111.21 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 24.0 tpt180 -81.38 -58.75 2.9 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.414 1.071 . . . . 0.0 110.191 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER 158.57 -58.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.428 1.08 . . . . 0.0 110.192 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -89.83 -38.06 14.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.401 ' HA ' ' N ' ' A' ' 19' ' ' ALA . 6.7 m-85 -115.6 173.97 6.26 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.36 1.037 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.0 t -124.98 131.73 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.354 1.034 . . . . 0.0 109.179 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -124.67 131.38 53.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.43 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 27' ' ' ILE . 2.0 mt -125.91 161.87 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.632 1.208 . . . . 0.0 109.373 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.93 144.1 8.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.397 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.45 ' CB ' ' CD1' ' A' ' 39' ' ' ILE . . . 179.8 -171.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.362 1.039 . . . . 0.0 109.446 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.431 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 2.4 mt-10 -41.71 162.33 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.35 33.84 6.25 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.313 1.008 . . . . 0.0 111.079 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -163.44 75.0 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.512 0.771 . . . . 0.0 110.159 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.431 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 2.4 mm? -116.47 177.37 4.72 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.619 1.2 . . . . 0.0 109.238 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -154.41 117.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 109.43 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.64 156.02 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 109.426 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.6 p -147.17 17.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.338 1.024 . . . . 0.0 110.488 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.62 36.43 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.289 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -23.98 63.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.403 1.065 . . . . 0.0 109.406 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -73.1 -41.92 63.53 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.681 1.238 . . . . 0.0 110.471 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -44.28 96.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.217 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -39.54 77.79 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.415 1.072 . . . . 0.0 110.449 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -39.0 91.89 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.467 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -66.28 -47.73 72.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt -42.79 -27.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.05 65.3 0.31 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.574 1.172 . . . . 0.0 111.108 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.637 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 44.5 mtp180 -54.05 -43.55 97.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.2 Cg_endo -75.09 62.24 5.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.387 1.73 . . . . 0.0 110.774 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -159.06 -159.95 0.81 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.467 1.104 . . . . 0.0 111.228 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.59 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -142.19 -165.88 2.12 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.294 0.996 . . . . 0.0 109.332 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.1 ttt -82.09 -29.83 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -45.58 -48.17 14.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -48.9 -36.78 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.668 1.23 . . . . 0.0 110.215 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.39 -50.29 72.13 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.389 1.055 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 14.7 tt0 -78.75 -9.72 59.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -90.66 -59.53 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.386 1.054 . . . . 0.0 109.365 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -70.15 65.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.411 1.069 . . . . 0.0 109.218 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.54 163.46 35.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.392 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.05 -66.64 0.74 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.407 1.067 . . . . 0.0 109.369 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -141.58 -169.08 2.8 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.475 1.109 . . . . 0.0 109.937 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 82' ' ' SER . 8.3 m-85 -165.7 133.22 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HB1' ' CA ' ' A' ' 14' ' ' GLY . . . -96.75 29.05 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.409 1.068 . . . . 0.0 109.274 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.59 -174.63 45.75 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.369 1.043 . . . . 0.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -103.97 139.25 39.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.812 0.948 . . . . 0.0 110.197 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.57 HG21 ' CE2' ' A' ' 96' ' ' PHE . 1.7 pp -121.06 134.54 64.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.499 1.124 . . . . 0.0 109.105 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -126.4 144.35 50.86 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.68 1.238 . . . . 0.0 110.256 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.78 142.66 46.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -119.33 -175.06 2.86 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.174 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 90' ' ' ASP . 3.2 pt-20 -29.59 -59.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -148.39 61.41 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.315 1.01 . . . . 0.0 109.437 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.475 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 13.7 pt20 -171.35 171.59 5.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.298 0.999 . . . . 0.0 110.307 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.1 tt -147.22 110.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.624 1.203 . . . . 0.0 109.249 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.45 139.43 31.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.429 1.081 . . . . 0.0 110.286 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CE2' HG21 ' A' ' 87' ' ' ILE . 4.5 m-85 -110.4 145.03 38.28 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.41 1.069 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 9.4 p90 -170.62 142.39 2.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 0.0 111.119 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 15.1 t80 -113.34 82.04 1.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.424 1.078 . . . . 0.0 109.413 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.516 ' ND2' ' CZ ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -126.79 -48.2 1.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.9 p30 179.95 142.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.071 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 m -98.71 170.62 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 124.398 1.061 . . . . 0.0 109.285 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.4 87.62 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.89 113.47 3.8 Favored 'Trans proline' 0 C--N 1.358 1.051 0 O-C-N 124.689 1.889 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.458 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 8.9 mm -108.01 132.37 55.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.466 1.104 . . . . 0.0 109.21 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.0 pt -145.75 -171.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.407 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.92 165.59 11.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -94.09 127.06 39.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.667 1.23 . . . . 0.0 109.4 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.72 -80.28 1.41 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.559 1.162 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 179.62 -37.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.205 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 4.1 mm? -116.74 15.5 15.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.589 1.181 . . . . 0.0 109.274 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 2.1 t -77.84 -10.04 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.146 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.555 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -76.91 -59.35 0.94 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.252 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -75.0 -10.32 21.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.062 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 17.6 t -90.45 -46.2 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.225 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 6.5 tp -66.99 -33.49 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.15 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -42.86 65.39 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.593 1.183 . . . . 0.0 110.371 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.9 m -74.89 -26.29 59.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.11 -20.51 52.04 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.286 0.991 . . . . 0.0 109.374 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -83.08 -39.55 21.02 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.699 1.249 . . . . 0.0 110.438 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 pt -68.87 -36.22 73.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.725 1.266 . . . . 0.0 109.471 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -25.12 51.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.728 1.268 . . . . 0.0 109.2 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.19 147.34 36.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.686 1.241 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 54.8 3.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.412 1.743 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.88 60.31 1.7 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.151 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 50.65 1.55 Allowed 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.677 0.869 . . . . 0.0 109.354 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 179.22 47.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.589 1.18 . . . . 0.0 110.438 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -137.1 148.96 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 O-C-N 124.582 1.176 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 t -113.19 166.79 11.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 110.556 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.9 t -149.74 134.72 10.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 124.433 1.083 . . . . 0.0 109.402 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -113.78 74.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.404 1.065 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.36 102.6 13.54 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.611 1.194 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 6.3 tpm_? -83.85 -59.77 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 4.5 mtt180 158.99 -51.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.61 -35.66 45.31 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.673 1.233 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.406 ' HA ' ' N ' ' A' ' 19' ' ' ALA . 58.0 m-85 -129.58 169.8 14.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.63 119.81 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.408 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 22.4 ttt180 -117.09 149.45 40.3 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.334 1.021 . . . . 0.0 110.29 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.9 mt -143.68 160.58 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.369 1.043 . . . . 0.0 109.439 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.24 128.23 17.5 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.726 1.266 . . . . 0.0 109.168 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.41 116.3 18.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.276 0.985 . . . . 0.0 109.242 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.42 55.12 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.447 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.77 -96.03 0.12 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.627 1.204 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -166.11 173.21 10.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.676 0.868 . . . . 0.0 110.297 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.4 mt -152.25 -179.57 7.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.669 1.23 . . . . 0.0 109.197 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -156.44 107.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.86 135.9 45.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.088 . . . . 0.0 109.146 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.1 p -135.21 15.18 3.5 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.408 1.067 . . . . 0.0 110.496 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.08 44.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.594 1.184 . . . . 0.0 110.261 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -23.58 62.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.063 . . . . 0.0 109.379 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -48.22 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.612 1.195 . . . . 0.0 110.423 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.3 -47.21 87.0 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.536 1.148 . . . . 0.0 109.5 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -35.66 81.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.399 1.062 . . . . 0.0 110.322 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.51 -39.73 77.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 0.0 110.474 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.3 mt-30 -65.6 -47.95 73.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.073 . . . . 0.0 110.148 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 71.3 mt -41.2 -29.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.606 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.33 65.86 0.3 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.305 1.003 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.632 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 3.7 mtm105 -53.6 -43.49 95.99 Favored Pre-proline 0 C--N 1.321 -0.652 0 O-C-N 124.486 0.757 . . . . 0.0 110.165 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.86 63.12 5.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.369 1.72 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.62 -164.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.726 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.502 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -144.57 -165.92 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.181 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.3 ptt? -79.97 -10.3 59.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.657 1.223 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -37.18 86.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.16 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.5 mt-10 -67.88 -28.48 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 110.145 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.01 -54.07 46.75 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.715 1.259 . . . . 0.0 109.321 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.494 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 5.0 tt0 -70.5 -13.96 62.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.398 1.061 . . . . 0.0 110.147 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.55 -32.33 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 O-C-N 124.331 1.019 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' GLU . 65.6 m-20 -86.09 68.56 10.33 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.308 1.005 . . . . 0.0 109.445 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -141.69 164.06 31.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.44 -52.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.707 1.255 . . . . 0.0 109.195 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.537 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -165.67 177.59 7.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.309 1.006 . . . . 0.0 110.131 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 82' ' ' SER . 71.3 m-85 -165.45 144.0 6.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.94 -64.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.33 -135.35 2.16 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.364 1.04 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -135.45 166.3 23.48 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.405 0.709 . . . . 0.0 110.414 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.572 HG21 ' CD2' ' A' ' 96' ' ' PHE . 7.7 pt -122.89 170.94 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.408 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -155.87 114.33 3.43 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.593 1.183 . . . . 0.0 110.4 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.27 140.9 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 91' ' ' GLU . 14.5 t0 -110.63 -175.31 2.69 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.492 1.12 . . . . 0.0 109.379 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.5 pt-20 -31.91 -56.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.766 1.291 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -150.76 54.24 0.89 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.395 1.059 . . . . 0.0 109.225 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.474 ' CD ' ' CB ' ' A' ' 90' ' ' ASP . 1.4 pt20 -154.5 -168.66 2.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.617 1.198 . . . . 0.0 110.324 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.406 ' N ' ' CG ' ' A' ' 93' ' ' GLN . 2.5 tt -162.78 119.61 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 O-C-N 124.586 1.179 . . . . 0.0 109.208 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.58 151.67 40.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.287 0.992 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.572 ' CD2' HG21 ' A' ' 87' ' ' ILE . 19.0 m-85 -123.27 153.78 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.696 1.248 . . . . 0.0 111.059 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 2.9 p90 -151.82 165.6 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.516 ' CZ ' ' ND2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -115.07 -23.81 8.86 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.642 1.214 . . . . 0.0 111.075 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.491 ' OD2' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.574 0 O-C-N 124.642 1.213 . . . . 0.0 109.394 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 p30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -178.73 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.393 1.058 . . . . 0.0 109.234 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -147.37 139.81 24.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.441 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.41 ' CG2' ' HA2' ' A' ' 54' ' ' GLY . 0.4 OUTLIER -123.27 178.74 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.322 1.014 . . . . 0.0 109.271 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.61 84.36 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 18.8 Cg_endo -74.66 125.05 9.24 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.439 1.757 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 4.7 mm -113.32 123.3 68.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -138.68 171.76 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -67.29 170.41 7.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.708 1.255 . . . . 0.0 110.388 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB3' ' CA ' ' A' ' 47' ' ' TYR . . . -107.73 156.83 18.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.49 -90.07 0.86 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 111.052 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 179.64 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.48 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 8.3 mp -111.29 20.63 17.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.356 1.035 . . . . 0.0 109.354 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.7 t -78.29 -9.58 12.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.746 1.278 . . . . 0.0 109.219 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.523 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -77.61 -58.45 0.92 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.693 1.246 . . . . 0.0 110.45 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -74.85 -11.62 21.78 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.372 1.722 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 63' ' ' LEU . 8.6 t -89.59 -45.86 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.142 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 6.0 tp -66.33 -35.09 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.691 1.245 . . . . 0.0 109.472 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -47.26 68.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.32 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 m -71.81 -28.41 63.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.14 . . . . 0.0 110.477 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.99 -16.56 58.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.254 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -85.55 -37.6 19.44 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.56 1.162 . . . . 0.0 110.342 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 pt -69.36 -30.38 45.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.633 1.208 . . . . 0.0 109.357 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.78 -27.14 63.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.2 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.01 159.42 32.28 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.231 0.957 . . . . 0.0 109.243 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -0.05 9.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.322 1.696 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.68 52.52 4.17 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.44 1.087 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 56.39 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.611 0.83 . . . . 0.0 109.198 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -179.95 50.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.68 1.238 . . . . 0.0 110.316 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.528 ' CG1' ' CB ' ' A' ' 52' ' ' ALA . 1.8 mt -114.58 150.63 16.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.529 1.143 . . . . 0.0 109.44 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.3 m -112.41 113.06 25.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.529 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.05 152.62 3.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.64 80.0 1.85 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.195 0.934 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.31 105.32 6.27 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.38 1.05 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.1 tpt180 -81.64 -69.51 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 164.24 -47.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.38 1.05 . . . . 0.0 110.303 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.557 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . . . -83.25 -40.84 19.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.18 . . . . 0.0 109.353 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 19.8 m-85 -134.18 166.81 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 95.1 t -110.38 123.53 66.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 124.629 1.206 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 29.7 ttm180 -115.55 155.05 28.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.18 . . . . 0.0 110.389 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.432 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 2.4 mt -144.62 166.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.596 1.185 . . . . 0.0 109.209 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.24 131.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.632 1.208 . . . . 0.0 109.158 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 39' ' ' ILE . . . -178.84 -164.31 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.427 1.08 . . . . 0.0 109.126 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 155.02 1.86 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.41 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . -93.67 58.39 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.647 1.217 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.55 92.09 0.06 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.71 0.888 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.408 ' C ' ' CG2' ' A' ' 57' ' ' ILE . 3.2 mt -137.36 176.59 8.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.337 1.023 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.408 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 1.1 pp -151.3 143.77 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.617 1.198 . . . . 0.0 109.268 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 136.51 47.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.607 1.192 . . . . 0.0 109.389 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.2 p -140.25 19.8 2.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.325 1.016 . . . . 0.0 110.374 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 34.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.505 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -51.91 -23.53 5.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 63' ' ' LEU . 7.1 t -67.79 -49.8 60.41 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.361 1.038 . . . . 0.0 110.471 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.473 HD11 ' CG1' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -74.08 -38.14 64.0 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.342 1.026 . . . . 0.0 109.406 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.94 -32.08 73.09 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.4 mm-40 -71.54 -44.24 64.96 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.684 1.24 . . . . 0.0 110.229 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.476 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.1 mm-40 -64.2 -49.17 73.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.621 1.201 . . . . 0.0 110.346 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 mt -42.81 -28.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.171 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.622 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -159.49 64.63 0.29 Allowed Glycine 0 CA--C 1.533 1.201 0 O-C-N 124.622 1.201 . . . . 0.0 111.074 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.621 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 15.4 mtm180 -51.77 -44.18 90.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 110.335 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.89 56.33 4.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.656 1.872 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.78 -159.92 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.6 1.187 . . . . 0.0 110.919 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.625 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -152.67 153.09 32.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.102 . . . . 0.0 109.145 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -33.3 56.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.89 -44.04 86.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.216 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -65.66 -23.62 66.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.454 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.547 HD11 ' CD2' ' A' ' 71' ' ' PHE . 1.6 mp -62.76 -54.65 35.81 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.405 1.066 . . . . 0.0 109.309 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.37 -11.88 36.99 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.572 1.17 . . . . 0.0 110.439 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -91.75 -71.5 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.411 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.511 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 5.4 m-20 -86.69 74.45 9.83 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.452 1.095 . . . . 0.0 109.386 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -124.17 142.29 51.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.597 1.186 . . . . 0.0 109.509 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . -39.7 -71.03 0.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.411 1.069 . . . . 0.0 109.375 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.95 -166.06 0.28 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -153.74 -174.93 5.14 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.613 1.196 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.57 24.98 0.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.95 -138.41 2.94 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.396 1.06 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.551 ' HB3' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -116.63 153.07 32.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.38 0.694 . . . . 0.0 110.147 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.4 138.21 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -127.93 153.68 46.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.319 1.012 . . . . 0.0 110.378 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.74 139.97 49.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.171 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 91' ' ' GLU . 5.4 t0 -112.35 -179.53 3.7 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.152 . . . . 0.0 109.243 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -32.51 -46.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.26 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -155.94 66.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 0.0 109.264 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.5 pt20 -176.66 166.99 2.66 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -150.74 127.65 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.702 1.251 . . . . 0.0 109.257 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.64 159.5 27.75 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 39.5 m-85 -121.35 143.0 49.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 86' ' ' GLN . 5.0 p90 -158.56 143.32 16.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 4.2 t80 -110.88 46.86 1.03 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.415 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 11' ' ' ASN . 7.1 t30 . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 10' ' ' ASN . 19.7 m-80 -163.87 -88.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.192 0.932 . . . . 0.0 109.235 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -155.66 150.68 26.57 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.459 1.099 . . . . 0.0 109.139 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 98' ' ' PHE . 14.4 m -97.16 179.89 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.199 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.47 93.57 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.17 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.83 105.57 2.1 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.464 ' HB ' ' CB ' ' A' ' 82' ' ' SER . 23.1 mm -96.07 124.2 48.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 109.385 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 pt -148.8 -172.41 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -102.08 172.64 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.665 1.228 . . . . 0.0 110.197 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.82 98.75 9.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.624 1.202 . . . . 0.0 109.315 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.59 -90.27 0.45 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.344 1.028 . . . . 0.0 111.178 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.96 131.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.308 0.651 . . . . 0.0 109.267 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 1.3 mp 66.81 22.62 10.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.485 1.116 . . . . 0.0 109.375 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 t -77.94 -9.84 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 O-C-N 124.316 1.01 . . . . 0.0 109.265 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.535 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -78.38 -58.66 0.78 Allowed Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.44 1.088 . . . . 0.0 110.098 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.7 Cg_endo -75.04 -11.39 21.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.411 1.742 . . . . 0.0 110.86 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 13.9 t -88.02 -42.84 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.13 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.458 HD11 ' CD1' ' A' ' 50' ' ' ILE . 9.3 tp -69.38 -42.86 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 109.232 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -42.54 98.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.394 1.059 . . . . 0.0 110.41 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.5 m -74.6 -30.46 61.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.683 1.239 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.74 -14.99 60.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -88.39 -43.36 11.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.359 1.037 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 pt -63.63 -28.4 44.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.497 1.123 . . . . 0.0 109.213 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -57.26 -44.22 83.72 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.669 1.231 . . . . 0.0 109.186 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -105.32 165.81 12.5 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.386 1.054 . . . . 0.0 109.318 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.83 52.8 3.08 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.68 60.72 1.47 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.595 1.185 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 47.9 1.37 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.526 0.78 . . . . 0.0 109.257 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 179.2 38.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.365 1.041 . . . . 0.0 110.268 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.7 mm -84.88 151.29 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.367 1.042 . . . . 0.0 109.458 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.8 m -123.57 111.86 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.349 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -109.83 146.13 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 O-C-N 124.303 1.002 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -140.47 82.73 1.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.684 1.24 . . . . 0.0 110.237 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.09 106.52 16.62 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.395 1.059 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 30.5 tpt180 -80.28 -61.28 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.172 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 161.82 -47.43 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.507 1.13 . . . . 0.0 110.476 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.53 -53.39 6.91 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.481 1.113 . . . . 0.0 109.401 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -121.52 171.26 8.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.71 123.44 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -118.82 111.95 19.08 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.385 1.053 . . . . 0.0 110.227 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.458 ' CD1' HD11 ' A' ' 27' ' ' ILE . 4.7 mt -113.18 165.39 8.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.577 1.173 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.88 123.37 11.05 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.459 1.099 . . . . 0.0 109.421 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.473 ' CB ' HD23 ' A' ' 56' ' ' LEU . . . -116.51 161.2 19.5 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.555 1.16 . . . . 0.0 109.157 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.21 -165.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.1 -82.92 0.04 OUTLIER Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.358 1.036 . . . . 0.0 110.948 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -110.32 145.48 37.39 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.471 0.748 . . . . 0.0 110.348 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -144.87 172.81 12.51 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.541 1.15 . . . . 0.0 109.384 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -150.87 128.55 2.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.63 1.206 . . . . 0.0 109.282 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.66 156.57 32.74 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.491 1.12 . . . . 0.0 109.194 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.7 p -145.2 19.11 1.57 Allowed 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.412 1.07 . . . . 0.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.44 44.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.773 1.296 . . . . 0.0 110.362 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -64.71 -13.74 55.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.7 t -80.44 -41.51 24.35 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.499 1.124 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -66.65 -45.06 80.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.393 1.058 . . . . 0.0 109.185 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 3.4 mt-10 -66.18 -40.14 90.25 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.398 1.061 . . . . 0.0 110.124 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.1 mt-10 -64.71 -42.36 95.34 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.443 1.089 . . . . 0.0 110.23 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.457 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -61.13 -52.0 66.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.209 -179.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.7 mt -40.62 -29.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.397 1.061 . . . . 0.0 109.241 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.638 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.11 64.99 0.31 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.361 1.038 . . . . 0.0 110.972 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 29.2 mtm180 -52.0 -43.79 90.31 Favored Pre-proline 0 C--N 1.322 -0.612 0 O-C-N 124.748 0.911 . . . . 0.0 110.272 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.22 55.43 4.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.483 1.781 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.73 -168.4 2.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.763 1.29 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.619 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -150.7 167.28 27.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -28.72 47.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.327 1.017 . . . . 0.0 111.0 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -49.67 -40.38 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.379 1.05 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ILE . 2.5 mm-40 -60.75 -47.0 88.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.6 mt -44.39 -45.05 8.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.637 1.21 . . . . 0.0 109.293 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 15.9 tt0 -54.9 -37.12 65.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.714 1.259 . . . . 0.0 110.116 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.498 ' C ' ' CD1' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -85.4 -41.6 15.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.631 1.207 . . . . 0.0 109.193 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' N ' HG13 ' A' ' 78' ' ' ILE . 6.1 m-80 -77.66 69.16 3.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.198 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -154.65 178.4 10.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.424 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.47 -66.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.185 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.506 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -146.57 -176.23 5.1 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.398 1.061 . . . . 0.0 110.199 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.522 ' CE1' HD13 ' A' ' 87' ' ' ILE . 32.7 m-85 -160.82 120.48 2.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.87 46.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 124.374 1.046 . . . . 0.0 109.27 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 160.58 -170.16 36.47 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.488 1.117 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 11.5 mp0 -109.99 126.7 54.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.697 ' CG2' ' CD2' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -125.46 130.81 72.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.346 1.029 . . . . 0.0 109.192 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.19 162.31 27.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.3 1.0 . . . . 0.0 110.378 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.88 146.75 44.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.239 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.514 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.6 t0 -104.79 -171.96 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.4 pt-20 -29.36 -53.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.363 1.039 . . . . 0.0 110.368 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.406 ' O ' ' CD ' ' A' ' 61' ' ' LYS . 8.2 p-10 -154.12 65.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.381 1.051 . . . . 0.0 109.221 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.5 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -169.44 167.3 10.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.789 1.306 . . . . 0.0 110.195 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.79 120.04 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.91 162.26 18.43 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.577 1.173 . . . . 0.0 110.104 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.697 ' CD2' ' CG2' ' A' ' 87' ' ' ILE . 6.4 m-85 -130.95 159.54 37.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 29.5 p90 -178.32 138.05 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.682 1.239 . . . . 0.0 111.184 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.477 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 49.7 t80 -116.71 93.02 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.323 1.014 . . . . 0.0 111.208 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.514 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.518 ' N ' ' CD2' ' A' ' 98' ' ' PHE . 2.7 m-20 -127.55 -80.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.591 1.182 . . . . 0.0 109.38 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -159.21 157.7 31.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.617 1.198 . . . . 0.0 109.171 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.483 ' CG2' ' HA2' ' A' ' 54' ' ' GLY . 0.4 OUTLIER -115.18 138.75 44.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.779 1.299 . . . . 0.0 109.296 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 86.97 0.2 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 18.3 Cg_endo -75.21 140.28 24.72 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.521 1.8 . . . . 0.0 110.96 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 15' ' ' PRO . 5.3 mm -130.73 130.61 64.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.429 1.081 . . . . 0.0 109.4 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 12.3 pt -160.07 156.74 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' CD ' ' HB3' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -53.78 177.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.376 1.047 . . . . 0.0 110.18 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' CB ' ' CG2' ' A' ' 48' ' ' VAL . . . -148.39 154.62 40.17 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.38 1.05 . . . . 0.0 109.214 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.25 58.48 0.26 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.457 1.098 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -170.87 39.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.38 0.694 . . . . 0.0 109.224 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.49 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 1.4 mp 64.6 23.61 12.86 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.403 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 1.4 t -78.26 -10.58 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.387 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.531 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.4 mt-10 -75.55 -58.33 1.44 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.523 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.531 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.2 Cg_endo -75.29 -12.28 20.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 63' ' ' LEU . 3.9 t -87.45 -46.69 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 23' ' ' VAL . 5.2 tp -64.92 -37.53 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.404 1.065 . . . . 0.0 109.454 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -38.53 79.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.654 1.221 . . . . 0.0 110.241 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.9 m -74.89 -29.28 60.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.187 . . . . 0.0 110.484 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.31 -22.75 61.14 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.471 1.107 . . . . 0.0 109.398 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -80.44 -48.43 12.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.215 0.947 . . . . 0.0 110.255 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 pt -60.09 -30.6 46.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 124.586 1.179 . . . . 0.0 109.464 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.444 ' CB ' ' NH2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -65.33 -44.2 88.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.616 1.197 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.71 164.7 28.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.252 0.97 . . . . 0.0 109.353 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 53.5 3.37 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 39' ' ' ILE . . . -95.35 56.3 1.73 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.125 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 40.93 1.04 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.41 0.712 . . . . 0.0 109.482 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 179.77 54.26 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.238 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.474 HG12 ' CB ' ' A' ' 52' ' ' ALA . 1.7 mp -131.95 156.55 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.7 m -117.92 112.89 20.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.699 1.25 . . . . 0.0 110.392 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.8 t -95.69 144.44 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 49' ' ' ARG . 4.1 mm-40 -132.14 76.85 1.72 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -97.21 101.18 12.68 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.701 1.251 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.5 tpt180 -80.41 -56.94 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.415 1.072 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 161.12 -49.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.544 ' HB1' ' CD2' ' A' ' 47' ' ' TYR . . . -70.78 -50.81 31.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.276 0.985 . . . . 0.0 109.227 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.544 ' CD2' ' HB1' ' A' ' 46' ' ' ALA . 18.8 m-85 -124.86 167.16 15.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.432 1.082 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.431 ' CG2' ' CB ' ' A' ' 19' ' ' ALA . 70.8 t -125.69 120.16 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.668 1.23 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.461 ' CD ' ' HB3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -127.31 150.74 49.45 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.343 1.027 . . . . 0.0 110.383 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 mt -134.14 170.63 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.334 1.022 . . . . 0.0 109.273 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -149.29 88.05 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.469 1.106 . . . . 0.0 109.231 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.474 ' CB ' HG12 ' A' ' 39' ' ' ILE . . . -97.15 -172.56 2.46 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.521 1.138 . . . . 0.0 109.471 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -78.64 -45.37 21.65 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.549 ' HA3' ' CG ' ' A' ' 98' ' ' PHE . . . 151.24 -38.86 0.82 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.389 1.056 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -86.5 101.46 13.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 0.718 . . . . 0.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mt -137.02 160.36 39.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.332 1.02 . . . . 0.0 109.229 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -155.56 129.83 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 mt -131.43 150.12 52.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 p -148.6 18.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.475 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -82.05 50.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.396 1.06 . . . . 0.0 110.288 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -16.25 43.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.646 1.216 . . . . 0.0 109.214 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -82.0 -40.81 21.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' HB3' ' CG ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -65.44 -45.12 85.08 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -68.52 -36.83 79.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.259 0.974 . . . . 0.0 110.352 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' ARG . 21.0 mt-10 -68.99 -40.05 79.02 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.332 1.02 . . . . 0.0 110.064 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.487 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 4.3 mt-30 -61.49 -50.12 74.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.7 mt -40.58 -31.18 0.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.702 1.251 . . . . 0.0 109.228 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.627 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.93 65.28 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.412 1.07 . . . . 0.0 111.055 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.611 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 12.6 mtp-105 -51.15 -44.46 87.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.64 0.847 . . . . 0.0 110.254 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 19.4 Cg_endo -74.76 57.99 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 111.183 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.654 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.29 -167.68 1.98 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.539 1.15 . . . . 0.0 110.832 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' CE2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -134.27 -175.25 3.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.651 1.219 . . . . 0.0 109.272 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.1 -16.18 57.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.33 -31.21 71.07 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.489 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 1.6 mt-10 -66.84 -33.92 76.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.368 1.042 . . . . 0.0 110.314 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.513 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 31.6 mt -61.57 -57.68 11.12 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 80' ' ' LEU . 7.7 pt-20 -65.18 -19.59 66.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.3 mt -81.75 -62.24 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.672 1.232 . . . . 0.0 109.441 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' N ' HG21 ' A' ' 78' ' ' ILE . 77.5 m-20 -68.74 67.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.232 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 55.1 mt -123.31 162.59 22.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.362 1.039 . . . . 0.0 109.492 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.3 -71.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.87 -178.42 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 109.787 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -167.25 143.14 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 111.051 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.32 -80.55 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.394 1.058 . . . . 0.0 109.216 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.31 -148.37 0.02 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.471 1.107 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -121.46 157.8 29.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 0.756 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.642 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 1.1 pp -125.78 150.75 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.627 1.204 . . . . 0.0 109.196 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -139.18 120.42 14.78 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.556 1.16 . . . . 0.0 110.152 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.8 135.56 44.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.553 1.158 . . . . 0.0 109.548 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 91' ' ' GLU . 10.9 t0 -105.8 179.92 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.667 1.229 . . . . 0.0 109.272 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.29 -44.37 0.13 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.372 1.045 . . . . 0.0 110.143 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -158.11 64.91 0.45 Allowed 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.404 1.065 . . . . 0.0 109.446 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.47 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -173.44 163.83 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.334 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.54 124.28 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 155.04 47.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.419 1.074 . . . . 0.0 110.227 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.448 ' CE1' HG21 ' A' ' 87' ' ' ILE . 17.8 m-30 -119.07 138.47 52.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 111.033 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 46.9 p90 -140.54 113.98 8.65 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.631 1.207 . . . . 0.0 110.882 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -78.35 4.19 13.63 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.688 1.242 . . . . 0.0 110.883 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.187 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . 1.2 m-20 -154.55 -82.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.644 1.215 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.603 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 4.3 p-10 -168.56 142.24 3.1 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.512 1.133 . . . . 0.0 109.185 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 52' ' ' ALA . 4.5 m -95.05 167.59 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.703 1.252 . . . . 0.0 109.38 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.31 73.8 0.19 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.352 1.033 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' C ' ' CD1' ' A' ' 16' ' ' ILE . 18.0 Cg_endo -75.12 130.56 13.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.633 1.859 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 3.0 mm -124.49 133.51 69.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.0 pt -144.71 171.39 6.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.614 1.196 . . . . 0.0 109.37 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.559 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 4.5 ptt180 -105.96 49.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.466 ' CB ' HG23 ' A' ' 48' ' ' VAL . . . -66.2 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.55 82.0 0.32 Allowed Glycine 0 CA--C 1.533 1.159 0 O-C-N 124.565 1.166 . . . . 0.0 110.868 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.14 -70.02 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.654 0.855 . . . . 0.0 109.394 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 28.4 mt -145.22 18.0 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 O-C-N 124.447 1.092 . . . . 0.0 109.174 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 2.2 t -79.16 -9.67 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -73.69 -59.34 1.94 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.252 0.97 . . . . 0.0 110.442 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -75.01 -13.03 21.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.629 1.858 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.12 -45.25 16.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 6.6 tp -68.06 -35.97 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 O-C-N 124.408 1.068 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -66.72 -42.16 86.78 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.535 1.147 . . . . 0.0 110.445 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -77.43 -27.5 52.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 110.401 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.45 -17.32 52.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.601 1.188 . . . . 0.0 109.227 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -89.53 -39.27 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.353 1.033 . . . . 0.0 110.395 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 pp -67.79 -29.41 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 124.539 1.149 . . . . 0.0 109.448 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -62.39 -24.62 67.48 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.569 1.168 . . . . 0.0 109.086 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.26 155.05 44.16 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.552 1.157 . . . . 0.0 109.227 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.1 56.23 4.24 Favored 'Trans proline' 0 C--N 1.362 1.271 0 O-C-N 124.239 1.652 . . . . 0.0 111.21 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.82 58.91 1.8 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.64 1.213 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 46.12 1.35 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.324 0.661 . . . . 0.0 109.359 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -178.62 50.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -130.11 148.87 33.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.415 1.072 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -116.36 113.22 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.596 1.185 . . . . 0.0 110.462 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.0 t -103.0 129.31 54.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 124.28 0.988 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.88 86.04 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.48 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -97.17 124.89 41.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.389 1.056 . . . . 0.0 109.45 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -95.81 -53.41 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 162.97 -62.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.385 1.053 . . . . 0.0 110.262 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.578 ' C ' ' CD1' ' A' ' 47' ' ' TYR . . . -87.97 11.86 14.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.458 1.098 . . . . 0.0 109.216 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' ' 46' ' ' ALA . 61.6 m-85 -155.22 178.91 9.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.787 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 HG21 ' CG1' ' A' ' 23' ' ' VAL . 71.6 t -156.35 118.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.19 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 36.5 ttt180 -118.26 146.54 44.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.255 0.972 . . . . 0.0 110.372 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.7 mt -130.92 157.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 O-C-N 124.614 1.197 . . . . 0.0 109.389 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.55 124.0 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.404 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . . . -138.78 129.03 25.61 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.619 1.199 . . . . 0.0 109.21 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.22 71.66 7.22 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.664 1.227 . . . . 0.0 110.353 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.29 -90.92 0.13 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.488 1.118 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 97' ' ' TYR . 6.0 pt-20 -179.64 161.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.339 0.67 . . . . 0.0 110.121 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 52' ' ' ALA . 3.4 mm? -141.16 174.13 10.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.227 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pp -148.58 139.75 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.162 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.27 156.54 38.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.217 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.9 p -142.99 15.6 1.91 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 1.15 . . . . 0.0 110.386 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.72 42.05 1.03 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.641 1.213 . . . . 0.0 110.174 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -21.56 25.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.379 1.05 . . . . 0.0 109.166 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -49.79 41.2 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.66 1.225 . . . . 0.0 110.422 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.418 HD21 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -59.77 -45.9 90.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.207 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' N ' HD21 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -65.26 -41.34 94.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.349 1.031 . . . . 0.0 110.314 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' ARG . 14.0 mt-10 -63.91 -43.01 97.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 110.13 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.513 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.2 mt-30 -61.07 -52.45 64.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.348 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' GLN . 13.2 mt -40.41 -29.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.172 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -158.4 66.7 0.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.651 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 7.2 mtp180 -55.31 -42.52 96.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.399 0.706 . . . . 0.0 110.236 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.02 3.6 5.49 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.302 1.685 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.747 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -98.22 -177.97 3.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.395 1.059 . . . . 0.0 111.162 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.614 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -140.84 166.1 25.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -15.92 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -30.97 70.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.403 1.064 . . . . 0.0 110.204 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' ASN . 0.6 OUTLIER -71.95 -28.65 63.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.17 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.42 -48.03 79.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.508 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -73.72 -25.08 60.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.207 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -80.49 -65.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.659 1.224 . . . . 0.0 109.326 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.492 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 2.4 m-20 -70.5 86.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.596 1.185 . . . . 0.0 109.198 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -148.95 167.7 25.06 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.435 1.084 . . . . 0.0 109.231 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.56 -72.03 0.7 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.607 1.192 . . . . 0.0 109.421 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -147.67 -175.1 4.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.589 1.181 . . . . 0.0 110.025 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 82' ' ' SER . 45.9 m-85 -166.26 125.6 1.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.283 0.989 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.87 37.26 1.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.412 1.07 . . . . 0.0 109.263 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -174.97 -152.77 9.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.528 1.143 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -126.07 165.08 19.5 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.364 0.685 . . . . 0.0 110.271 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.557 HD13 ' CE2' ' A' ' 96' ' ' PHE . 16.0 tt -143.55 159.93 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -152.88 176.44 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 110.257 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.31 154.42 34.54 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.632 1.208 . . . . 0.0 109.207 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.465 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 10.6 t0 -120.12 -172.2 2.3 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.549 1.156 . . . . 0.0 109.211 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.6 pt-20 -31.65 -53.21 0.25 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.593 1.183 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.61 60.85 0.81 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.636 1.21 . . . . 0.0 109.414 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.465 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -162.43 168.7 21.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.327 1.017 . . . . 0.0 110.337 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.3 tt -133.98 120.36 35.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -106.61 160.91 15.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.402 1.064 . . . . 0.0 110.459 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -141.92 144.81 33.96 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.4 1.063 . . . . 0.0 110.958 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.468 ' CB ' ' HB3' ' A' ' 55' ' ' GLU . 11.9 p90 -176.15 158.73 1.99 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.725 1.265 . . . . 0.0 110.776 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 12' ' ' ASN . 59.7 t80 -106.66 87.87 2.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.458 1.098 . . . . 0.0 109.351 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.3 t30 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -173.29 -88.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.579 1.174 . . . . 0.0 109.189 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -157.28 134.35 10.27 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.437 1.086 . . . . 0.0 109.163 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 98' ' ' PHE . 21.5 m -104.73 177.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 124.575 1.172 . . . . 0.0 109.407 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.428 ' N ' ' HB1' ' A' ' 84' ' ' ALA . . . -168.92 94.37 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.196 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 18.1 Cg_endo -75.02 127.25 10.52 Favored 'Trans proline' 0 C--N 1.356 0.955 0 O-C-N 124.466 1.771 . . . . 0.0 110.999 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 15.9 mm -114.05 128.4 71.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.651 1.219 . . . . 0.0 109.351 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.9 pt -152.71 175.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 124.67 1.231 . . . . 0.0 109.138 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -82.34 165.76 20.06 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.27 144.86 30.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.722 1.264 . . . . 0.0 109.385 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.94 -80.43 1.21 Allowed Glycine 0 CA--C 1.532 1.135 0 O-C-N 124.595 1.184 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.69 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 0.775 . . . . 0.0 109.243 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.522 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 1.7 mt -108.36 17.21 22.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.111 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -82.38 -12.32 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 124.269 0.981 . . . . 0.0 109.206 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -78.95 -54.87 1.0 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.73 1.269 . . . . 0.0 110.361 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.522 ' HD2' ' C ' ' A' ' 22' ' ' LEU . 18.8 Cg_endo -75.07 -13.63 21.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.644 1.865 . . . . 0.0 110.977 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 9.0 t -88.1 -47.52 15.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.435 1.084 . . . . 0.0 109.177 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 50' ' ' ILE . 7.8 tp -62.74 -34.9 68.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -50.43 47.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.579 1.174 . . . . 0.0 110.13 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 m -69.94 -21.85 63.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.96 -18.02 41.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.636 1.21 . . . . 0.0 109.107 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' ASN . 39.2 mm-40 -84.86 -38.42 19.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.405 1.066 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.421 HD11 ' N ' ' A' ' 33' ' ' ASP . 1.2 pp -71.42 -38.96 70.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' N ' HD11 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -53.35 -27.2 22.41 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -115.41 157.86 42.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 124.559 1.162 . . . . 0.0 109.38 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 55.2 3.94 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.35 55.48 2.07 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.534 1.146 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.53 46.42 1.38 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 0.731 . . . . 0.0 109.295 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.98 50.79 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 124.297 0.998 . . . . 0.0 110.306 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.431 HG12 ' CB ' ' A' ' 52' ' ' ALA . 1.3 mp -132.82 127.86 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.642 1.214 . . . . 0.0 109.185 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -95.27 114.2 25.95 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.384 1.053 . . . . 0.0 110.294 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.98 142.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -132.08 69.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.133 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.43 110.23 21.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.623 1.202 . . . . 0.0 109.239 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 3.9 tpt180 -82.88 -57.67 3.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.353 1.033 . . . . 0.0 110.188 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER 161.87 -48.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.38 1.05 . . . . 0.0 110.332 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.69 -26.71 37.36 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 109.39 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -138.92 167.1 22.79 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 111.194 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.1 t -130.11 115.75 34.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.573 1.17 . . . . 0.0 109.208 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 16.1 ttp-105 -121.0 152.16 38.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.249 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 27' ' ' ILE . 6.5 mt -136.35 166.43 26.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.608 1.193 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.85 116.18 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.755 1.284 . . . . 0.0 109.23 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' CB ' HG12 ' A' ' 39' ' ' ILE . . . -131.04 -170.2 2.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.638 1.211 . . . . 0.0 109.139 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -25.95 34.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.449 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . 94.78 58.54 1.18 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.622 1.201 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -176.7 53.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 110.226 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' C ' ' CG2' ' A' ' 57' ' ' ILE . 2.3 mm? -116.44 -179.04 3.56 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.425 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -149.91 150.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.625 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.2 153.08 47.84 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.322 1.014 . . . . 0.0 109.412 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.7 p -143.64 14.57 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.36 1.038 . . . . 0.0 110.465 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 48.01 1.56 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.72 1.262 . . . . 0.0 110.233 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -21.14 66.16 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.617 1.198 . . . . 0.0 109.22 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 t -73.44 -35.97 65.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -75.93 -40.34 54.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.306 1.004 . . . . 0.0 109.325 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.61 -27.12 62.9 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.819 1.325 . . . . 0.0 110.506 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -38.5 55.22 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.611 1.194 . . . . 0.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -68.25 -48.41 65.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.7 mt -43.46 -27.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.323 1.014 . . . . 0.0 109.196 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.45 65.03 0.32 Allowed Glycine 0 CA--C 1.526 0.746 0 O-C-N 124.703 1.252 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.64 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 11.4 mtp-105 -54.35 -43.23 97.34 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 124.452 0.736 . . . . 0.0 110.199 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.9 Cg_endo -74.94 58.71 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.591 1.837 . . . . 0.0 111.087 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -155.68 -159.34 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.609 1.193 . . . . 0.0 111.063 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.58 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.05 -156.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.2 mtt -89.91 -40.63 12.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.437 1.086 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.32 -33.44 42.53 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.661 1.226 . . . . 0.0 110.377 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -25.43 63.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -65.83 -52.88 46.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.499 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.84 -14.55 62.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 110.357 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -90.35 -64.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.474 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 8.7 m-80 -73.01 68.74 0.94 Allowed 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 124.635 1.209 . . . . 0.0 109.436 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.46 162.34 33.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.277 0.986 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.95 -56.22 2.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.63 1.206 . . . . 0.0 109.438 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.33 -168.39 0.71 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.333 1.021 . . . . 0.0 110.043 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -170.46 118.12 0.53 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.311 1.007 . . . . 0.0 110.986 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB1' ' N ' ' A' ' 14' ' ' GLY . . . -88.28 13.33 11.79 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.526 1.141 . . . . 0.0 109.115 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 98' ' ' PHE . . . -148.51 -168.5 14.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -116.44 144.16 44.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 0.739 . . . . 0.0 110.399 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.594 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 30.5 pt -125.97 136.43 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -125.72 119.47 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 110.128 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.3 142.81 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -120.81 -176.15 3.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.281 0.988 . . . . 0.0 109.194 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -29.89 -55.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.383 1.052 . . . . 0.0 110.328 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -151.8 63.7 0.86 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.241 0.963 . . . . 0.0 109.408 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.482 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 10.1 pt20 -174.97 173.92 2.59 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.557 1.161 . . . . 0.0 110.232 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.6 tt -152.1 119.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.385 1.053 . . . . 0.0 109.473 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.86 145.55 35.12 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.17 . . . . 0.0 110.228 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.503 ' CG ' HG23 ' A' ' 87' ' ' ILE . 4.4 m-85 -108.65 118.74 37.57 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.691 1.244 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 19.8 p90 -130.84 164.37 25.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD1' HG11 ' A' ' 13' ' ' VAL . 1.9 t80 -141.07 110.85 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.109 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 17.6 m-20 -151.88 -54.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.759 1.287 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 179.99 147.79 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.356 1.035 . . . . 0.0 109.197 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -106.8 129.75 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.308 1.005 . . . . 0.0 109.103 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.9 76.79 0.34 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.525 1.141 . . . . 0.0 111.163 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 83' ' ' PHE . 18.6 Cg_endo -75.01 114.05 3.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 HD11 ' CB ' ' A' ' 49' ' ' ARG . 1.0 OUTLIER -109.38 124.31 65.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 O-C-N 124.602 1.189 . . . . 0.0 109.181 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.0 pt -146.63 168.48 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.706 1.253 . . . . 0.0 109.387 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -82.54 -176.39 6.22 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.551 1.157 . . . . 0.0 110.419 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' CB ' HG23 ' A' ' 48' ' ' VAL . . . -155.91 155.17 32.39 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.672 1.233 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.24 -55.09 0.12 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.346 1.029 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.4 t0 179.84 163.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.399 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 2.2 mm? 66.24 10.64 7.31 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.515 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 2.1 t -80.39 -10.03 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.504 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.8 mt-10 -77.25 -57.03 1.14 Allowed Pre-proline 0 N--CA 1.452 -0.332 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.1 Cg_endo -75.13 -13.27 21.2 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.506 1.792 . . . . 0.0 110.82 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 63' ' ' LEU . 3.3 t -88.49 -46.35 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 2.8 tp -68.74 -26.79 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.47 -34.47 28.07 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m -82.48 -22.48 35.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.44 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.45 -34.69 41.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.301 1.001 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.87 -45.9 73.22 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 124.663 1.227 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 pt -60.77 -39.41 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -53.12 -24.18 9.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.48 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.45 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -122.93 175.48 2.67 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.413 1.07 . . . . 0.0 109.23 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 17.7 Cg_endo -75.34 80.58 2.47 Favored 'Trans proline' 0 C--N 1.362 1.283 0 O-C-N 124.504 1.792 . . . . 0.0 110.908 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.97 34.81 3.81 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.479 1.112 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.09 23.05 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 0.798 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -178.74 50.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.356 1.035 . . . . 0.0 110.178 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -137.09 150.72 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.387 1.054 . . . . 0.0 109.169 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.5 m -124.99 115.17 20.13 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.625 1.203 . . . . 0.0 110.472 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.475 ' CG1' ' OD1' ' A' ' 43' ' ' ASP . 58.3 t -98.58 143.72 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.199 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.57 81.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.215 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.475 ' OD1' ' CG1' ' A' ' 41' ' ' VAL . 3.1 m-20 -93.44 103.69 15.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.304 1.002 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -81.02 -54.44 5.55 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.429 1.081 . . . . 0.0 110.255 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 5.5 mtt180 162.01 -50.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.62 -54.15 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.366 1.042 . . . . 0.0 109.073 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -105.56 162.81 13.17 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.451 1.094 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.486 ' CG2' HG13 ' A' ' 23' ' ' VAL . 11.6 t -133.61 114.62 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 124.662 1.226 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' CB ' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -118.8 163.73 16.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.224 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mt -139.21 171.43 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.044 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -152.46 123.93 7.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.486 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . . . -134.72 174.01 11.05 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.624 1.203 . . . . 0.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -57.84 -21.4 42.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.735 1.272 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.93 37.39 0.58 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -176.55 122.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 24.4 mt -148.69 167.38 25.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -150.69 125.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.725 1.266 . . . . 0.0 109.259 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.99 152.26 36.71 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.568 1.167 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 p -140.94 22.54 2.27 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.567 1.167 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.68 45.05 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.285 0.991 . . . . 0.0 110.35 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -13.44 62.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.14 . . . . 0.0 109.219 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 t -86.6 -33.77 20.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -80.87 -36.01 31.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.624 1.202 . . . . 0.0 109.204 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.439 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.69 -30.24 62.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -73.66 -37.81 65.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.511 1.132 . . . . 0.0 110.486 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.7 mt-30 -66.26 -49.59 66.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 mt -42.28 -28.27 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 0.0 109.165 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.611 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.23 65.38 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 16.2 mtp-105 -53.91 -43.28 96.32 Favored Pre-proline 0 N--CA 1.452 -0.334 0 O-C-N 124.595 0.821 . . . . 0.0 110.442 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.2 Cg_endo -74.9 63.43 5.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.393 1.733 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.83 -162.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 110.822 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -150.07 -163.47 1.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -14.43 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.347 1.029 . . . . 0.0 110.942 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.26 -43.19 99.4 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.74 -21.85 62.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.589 1.181 . . . . 0.0 110.104 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.452 ' CD2' ' CE2' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -65.13 -41.54 94.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.147 . . . . 0.0 109.22 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 12.0 tt0 -89.0 -14.66 36.01 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.667 1.229 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.17 -18.82 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 O-C-N 124.386 1.054 . . . . 0.0 109.622 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -97.26 70.77 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.178 . . . . 0.0 109.138 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 77' ' ' GLU . 1.5 mt -135.06 169.04 18.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.652 1.22 . . . . 0.0 109.424 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.13 -47.51 0.78 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.693 1.246 . . . . 0.0 109.473 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.432 ' N ' HG21 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -174.48 -179.47 1.55 Allowed 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.556 1.16 . . . . 0.0 109.99 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 1.7 t80 -172.35 150.56 2.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.344 1.027 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.32 -44.6 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.29 -148.82 24.76 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -112.97 166.96 10.92 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.584 0.814 . . . . 0.0 110.078 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.56 HG13 ' CZ ' ' A' ' 83' ' ' PHE . 4.7 mp -123.75 151.32 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.177 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -168.96 127.01 1.01 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 93' ' ' GLN . . . -107.42 170.65 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.508 ' CB ' ' OE1' ' A' ' 93' ' ' GLN . 3.6 t70 -119.44 -171.62 2.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.607 1.192 . . . . 0.0 109.448 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.6 pt-20 -32.65 -55.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.773 1.296 . . . . 0.0 110.419 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -148.57 61.79 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.668 1.23 . . . . 0.0 109.247 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.509 ' NE2' ' HE ' ' A' ' 95' ' ' ARG . 5.5 pt20 -164.86 173.98 11.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.37 120.81 29.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.424 1.078 . . . . 0.0 109.224 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.509 ' HE ' ' NE2' ' A' ' 93' ' ' GLN . 89.9 mtt180 -116.75 147.49 41.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -125.32 142.01 51.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.64 1.213 . . . . 0.0 111.018 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.406 ' CA ' HG13 ' A' ' 13' ' ' VAL . 2.6 p90 -157.97 156.72 31.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.343 1.027 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 11' ' ' ASN . 74.9 t80 -117.0 92.74 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 111.066 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 6.8 m-20 -179.54 -78.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -177.3 139.36 0.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -104.29 135.19 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.259 0.974 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.53 76.35 0.34 Allowed Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.454 1.096 . . . . 0.0 110.878 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 19.2 Cg_endo -75.06 140.12 24.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.598 1.841 . . . . 0.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -127.68 138.34 55.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.72 1.262 . . . . 0.0 109.284 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -144.0 177.68 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.625 1.203 . . . . 0.0 109.235 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ALA . 4.2 ptm180 -108.28 57.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.466 ' CB ' HG22 ' A' ' 23' ' ' VAL . . . -38.74 156.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.41 1.069 . . . . 0.0 109.301 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.35 -73.56 0.66 Allowed Glycine 0 CA--C 1.532 1.142 0 O-C-N 124.406 1.066 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -171.93 33.17 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.403 0.707 . . . . 0.0 109.473 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 26.9 mt -149.58 19.17 0.92 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.129 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 HG22 ' CB ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -84.91 -15.47 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.8 mt-10 -71.95 -55.97 4.92 Favored Pre-proline 0 C--N 1.328 -0.367 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -75.13 -17.81 18.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.653 1.87 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 4.7 t -81.66 -41.36 18.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 28' ' ' GLU . 2.3 tp -69.29 -38.91 78.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 O-C-N 124.587 1.179 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.416 ' N ' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -61.39 -40.83 95.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.728 1.268 . . . . 0.0 110.491 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 m -80.03 -28.47 39.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.649 1.218 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.82 -14.1 58.92 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.598 1.187 . . . . 0.0 109.333 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.93 -40.94 14.36 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.426 1.079 . . . . 0.0 110.156 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 pt -64.7 -36.82 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.233 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.23 -32.28 73.81 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.673 1.233 . . . . 0.0 109.24 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 57' ' ' ILE . 1.5 t-20 -94.51 133.79 26.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.347 1.03 . . . . 0.0 109.195 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 0.3 9.03 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.581 1.832 . . . . 0.0 110.785 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.05 53.33 4.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 67.26 0.22 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -179.76 52.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 40' ' ' THR . 12.2 mt -117.05 158.11 17.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.578 1.174 . . . . 0.0 109.466 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.409 ' N ' HG23 ' A' ' 39' ' ' ILE . 3.7 m -113.84 112.87 24.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.48 144.49 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.468 1.105 . . . . 0.0 109.428 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -131.15 115.53 16.51 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -108.3 121.92 45.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.483 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 19.9 tpt85 -88.06 -42.5 12.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.604 1.19 . . . . 0.0 110.195 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 3.8 mtt180 159.66 -72.46 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.715 1.26 . . . . 0.0 110.29 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.39 -50.79 11.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 3.7 m-30 -103.24 165.13 11.21 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 19' ' ' ALA . 44.2 t -135.41 149.38 28.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.614 1.196 . . . . 0.0 109.179 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -139.31 157.92 45.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 mt -129.49 169.28 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.71 1.257 . . . . 0.0 109.308 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -149.57 95.01 2.28 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.288 0.993 . . . . 0.0 109.446 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.59 ' CB ' ' CD1' ' A' ' 56' ' ' LEU . . . -101.9 177.79 4.8 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.527 1.142 . . . . 0.0 109.114 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -65.05 -26.9 68.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.579 1.174 . . . . 0.0 110.4 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.32 -56.72 0.52 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -92.3 134.89 34.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 0.827 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.59 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 70.7 mt -148.75 159.83 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.363 1.04 . . . . 0.0 109.295 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 2.7 pp -140.45 129.5 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.642 1.213 . . . . 0.0 109.429 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.93 140.55 50.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 109.444 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.5 p -129.91 7.58 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 110.32 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.91 44.98 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 110.238 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -20.13 55.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.373 1.046 . . . . 0.0 109.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.5 t -71.65 -48.89 44.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.301 1.001 . . . . 0.0 110.219 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -61.42 -44.28 97.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.627 1.204 . . . . 0.0 109.219 -179.804 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' N ' HD22 ' A' ' 63' ' ' LEU . 1.7 mm-40 -68.6 -33.35 73.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' ARG . 18.6 mt-10 -71.17 -40.73 71.09 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -63.69 -50.4 69.35 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.385 1.053 . . . . 0.0 110.474 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.5 mt -42.98 -27.9 0.22 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.486 1.116 . . . . 0.0 109.396 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.631 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.45 65.42 0.3 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.754 1.284 . . . . 0.0 110.958 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 40.5 mtm180 -54.0 -43.92 97.51 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.454 0.737 . . . . 0.0 110.35 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.8 Cg_endo -74.78 62.09 5.6 Favored 'Trans proline' 0 C--N 1.357 1.007 0 O-C-N 124.429 1.752 . . . . 0.0 111.155 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.687 ' CE2' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.03 -174.63 4.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.409 1.068 . . . . 0.0 111.079 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -170.6 -169.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.227 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -41.94 -70.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.631 1.207 . . . . 0.0 110.95 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 73' ' ' MET . 0.8 OUTLIER -36.32 -52.49 0.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.743 1.277 . . . . 0.0 110.243 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -41.15 95.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.687 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -52.98 -52.56 57.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.526 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -14.52 62.99 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.606 1.191 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -88.47 -58.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.523 1.139 . . . . 0.0 109.435 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.402 ' N ' HG21 ' A' ' 78' ' ' ILE . 2.5 m-80 -70.16 77.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.258 0.974 . . . . 0.0 109.23 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -164.53 166.64 20.19 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.562 1.163 . . . . 0.0 109.222 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.47 -73.12 0.67 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.093 . . . . 0.0 109.393 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.13 -168.84 3.19 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.685 1.241 . . . . 0.0 110.018 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -178.49 106.83 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.57 1.169 . . . . 0.0 111.225 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.44 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.514 1.134 . . . . 0.0 109.204 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.95 -167.06 3.77 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.422 1.076 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.493 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . 4.5 mt-30 -93.7 174.99 6.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.662 0.86 . . . . 0.0 110.253 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.545 HG22 ' CE1' ' A' ' 83' ' ' PHE . 18.1 pt -135.93 147.39 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.195 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -141.75 159.95 41.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.482 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.95 140.5 22.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.601 1.188 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -108.98 -168.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.0 pt-20 -30.23 -59.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.644 1.215 . . . . 0.0 110.253 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -148.23 61.04 1.11 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.72 1.263 . . . . 0.0 109.221 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.48 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.8 pt20 -161.16 162.94 31.52 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.423 1.077 . . . . 0.0 110.238 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -137.36 119.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 109.478 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.59 140.63 52.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -107.36 157.75 17.71 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.6 ' O ' ' CD1' ' A' ' 97' ' ' TYR . 40.7 p90 -165.98 124.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.347 1.029 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 11' ' ' ASN . 1.1 t80 -78.69 -10.75 59.87 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.573 1.171 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.724 1.265 . . . . 0.0 109.344 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -171.06 -88.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.741 1.276 . . . . 0.0 109.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -156.59 128.1 7.11 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.404 1.065 . . . . 0.0 109.418 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.453 HG22 ' CB ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -101.65 141.63 17.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.608 1.192 . . . . 0.0 109.412 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.08 86.98 0.27 Allowed Glycine 0 CA--C 1.527 0.842 0 O-C-N 124.476 1.11 . . . . 0.0 111.141 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 127.33 10.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.306 1.688 . . . . 0.0 110.932 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.3 mm -118.4 117.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.9 pt -137.82 168.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 124.637 1.211 . . . . 0.0 109.32 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -54.29 179.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.577 1.173 . . . . 0.0 110.563 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.93 172.01 7.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 109.389 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.17 -100.7 0.2 Allowed Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.582 1.176 . . . . 0.0 110.78 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.85 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -89.77 15.41 9.76 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 2.1 t -80.37 -9.99 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.391 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.5 mt-10 -75.42 -57.65 1.61 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.8 Cg_endo -75.11 -15.14 20.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG13 ' CD2' ' A' ' 63' ' ' LEU . 3.5 t -84.86 -47.74 16.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.581 1.176 . . . . 0.0 109.512 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 24' ' ' GLU . 9.8 tp -64.3 -41.62 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.668 1.23 . . . . 0.0 109.337 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -44.87 95.0 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.321 1.013 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -69.99 -34.57 73.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.28 73.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -70.56 -48.94 52.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.593 1.183 . . . . 0.0 110.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.01 -10.65 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.332 1.02 . . . . 0.0 109.086 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -87.25 -10.1 53.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.561 1.163 . . . . 0.0 109.23 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -126.77 155.99 74.36 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.552 1.157 . . . . 0.0 109.167 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -1.99 11.95 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.43 52.99 4.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.103 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 63.05 0.21 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.508 0.77 . . . . 0.0 109.347 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -178.91 56.05 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.7 mm -113.53 153.16 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.6 m -114.64 112.69 23.28 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.662 1.226 . . . . 0.0 110.401 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.66 149.89 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.64 1.212 . . . . 0.0 109.126 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -137.71 92.24 2.66 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.621 1.2 . . . . 0.0 110.264 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -90.56 109.15 20.31 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.455 1.097 . . . . 0.0 109.416 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -71.98 0.47 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.332 1.02 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 168.51 -45.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.199 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.528 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . . . -83.28 -33.84 25.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.445 1.091 . . . . 0.0 109.397 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CD2' ' HB2' ' A' ' 46' ' ' ALA . 53.4 m-85 -144.16 168.9 18.94 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.714 1.259 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.5 t -122.17 128.65 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.12 145.7 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 mt -125.47 170.42 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.189 . . . . 0.0 109.098 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.48 99.41 3.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.453 ' CB ' HG22 ' A' ' 13' ' ' VAL . . . -100.37 169.31 9.19 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.609 1.193 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -46.7 46.68 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.339 1.024 . . . . 0.0 110.188 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.49 -74.51 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.248 0.967 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.82 115.61 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 0.749 . . . . 0.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.453 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 20.5 mt -147.87 -176.66 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.513 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -148.2 159.29 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.435 1.085 . . . . 0.0 109.429 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 57' ' ' ILE . 19.2 mt -144.21 131.36 20.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.61 1.194 . . . . 0.0 109.335 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.5 p -124.6 25.43 7.54 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.369 1.043 . . . . 0.0 110.395 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.52 29.7 0.97 Allowed 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.189 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -29.04 66.29 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.9 t -70.75 -44.58 66.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.825 1.328 . . . . 0.0 110.482 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' CD2' HG13 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -66.54 -38.58 87.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.429 ' N ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -77.74 -21.75 51.36 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.9 -38.45 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.683 1.239 . . . . 0.0 110.409 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.409 ' C ' ' N ' ' A' ' 68' ' ' GLY . 0.3 OUTLIER -71.15 -47.05 60.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.206 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 26' ' ' VAL . 31.4 mt -43.66 -27.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.325 1.015 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.69 64.93 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.298 0.998 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.62 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 11.1 mtt180 -50.54 -44.27 82.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.499 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.7 Cg_endo -74.94 63.03 5.91 Favored 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.552 1.817 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.5 -155.02 0.41 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.386 1.054 . . . . 0.0 110.976 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.89 -177.29 6.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 109.519 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.411 ' O ' ' OE1' ' A' ' 77' ' ' GLU . 2.7 mtt -90.27 -41.12 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.351 1.032 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.408 ' O ' HG23 ' A' ' 78' ' ' ILE . 5.3 tt0 -53.72 -23.09 10.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.614 1.196 . . . . 0.0 110.247 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 2.1 pt-20 -86.03 -10.05 55.7 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.61 1.194 . . . . 0.0 110.177 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.39 -53.46 7.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.437 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.53 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 1.1 pm0 -50.45 -65.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.318 1.011 . . . . 0.0 110.304 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 74' ' ' GLN . 0.7 OUTLIER -50.26 -22.58 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 1.2 m-80 -87.96 67.74 9.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 77' ' ' GLU . 4.0 pp -141.07 150.25 42.69 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.381 1.051 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.09 -44.98 5.3 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.382 1.051 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.07 178.27 2.98 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.334 1.021 . . . . 0.0 109.827 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -158.94 176.96 11.66 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -141.72 19.31 2.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.1 . . . . 0.0 109.226 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.64 -165.03 25.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.627 1.205 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -102.79 152.19 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.553 0.796 . . . . 0.0 110.133 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 96' ' ' PHE . 1.2 pp -143.21 130.62 18.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.129 . . . . 0.0 109.499 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -129.67 163.19 26.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.376 1.048 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.31 147.49 46.95 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -112.45 -175.47 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -29.28 -52.99 0.12 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 124.38 1.05 . . . . 0.0 110.364 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -155.9 66.25 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.493 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -176.4 169.8 2.62 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.11 129.17 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.683 1.239 . . . . 0.0 109.371 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.79 167.15 11.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.629 1.206 . . . . 0.0 110.456 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 87' ' ' ILE . 4.2 m-85 -137.68 142.35 41.1 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.552 1.157 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 2.9 p90 -160.5 104.85 1.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.311 1.007 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -45.94 -32.34 2.66 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.576 1.172 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.555 0 O-C-N 124.522 1.139 . . . . 0.0 109.442 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.577 ' HA ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 m120 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -134.75 -75.75 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.341 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -149.46 144.52 26.38 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' CG2' ' CB ' ' A' ' 52' ' ' ALA . 2.6 m -90.52 132.13 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 O-C-N 124.256 0.973 . . . . 0.0 109.209 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.72 80.17 0.33 Allowed Glycine 0 CA--C 1.528 0.851 0 O-C-N 124.593 1.183 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 132.85 15.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.38 1.726 . . . . 0.0 111.04 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.1 mm -122.63 85.68 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.427 1.08 . . . . 0.0 109.351 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.8 pt -105.64 173.75 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 O-C-N 124.389 1.056 . . . . 0.0 109.259 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.95 172.04 12.35 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.67 149.78 23.79 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.707 1.254 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.96 -95.99 0.52 Allowed Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -179.05 149.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.577 0.81 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.508 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 5.7 mp 67.09 18.01 10.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 109.1 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.17 -13.74 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.529 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -73.75 -58.65 2.12 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 110.117 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.5 Cg_endo -75.0 -10.83 21.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.416 1.745 . . . . 0.0 111.004 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 9.4 t -89.15 -43.36 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 O-C-N 124.314 1.009 . . . . 0.0 109.423 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 28' ' ' GLU . 5.2 tp -66.82 -32.92 60.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.578 1.174 . . . . 0.0 109.36 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -70.92 -46.4 62.56 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.396 1.06 . . . . 0.0 110.359 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 25' ' ' PRO . 7.9 m -69.94 -29.99 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.355 1.034 . . . . 0.0 110.406 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.63 -19.58 59.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.204 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' ASN . 74.1 mt-10 -82.82 -45.24 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.07 . . . . 0.0 110.351 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -62.22 -28.02 43.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.635 1.209 . . . . 0.0 109.352 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -54.68 -37.91 66.33 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.402 1.064 . . . . 0.0 109.326 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -114.8 158.77 39.65 Favored Pre-proline 0 C--N 1.329 -0.326 0 O-C-N 124.63 1.206 . . . . 0.0 109.162 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 44.21 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.541 1.811 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 34' ' ' ASN . . . -95.77 59.08 1.52 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.358 1.036 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 54.41 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.562 0.801 . . . . 0.0 109.199 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.22 49.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.68 1.237 . . . . 0.0 110.194 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.7 mt -116.49 130.91 70.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 124.746 1.279 . . . . 0.0 109.24 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.6 m -103.14 126.62 50.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.627 1.204 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.5 t -116.37 145.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.253 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.0 96.38 3.63 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.04 107.7 19.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -82.96 -73.13 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.427 1.079 . . . . 0.0 110.169 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.01 -47.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 110.228 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . . . -83.46 -27.67 29.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 8.7 m-85 -149.3 163.34 37.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.2 t -122.07 125.09 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -120.62 149.0 43.15 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.604 1.19 . . . . 0.0 110.208 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 mt -130.32 169.41 21.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.554 1.159 . . . . 0.0 109.372 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.71 93.18 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.556 ' CB ' ' CD1' ' A' ' 56' ' ' LEU . . . -100.24 177.23 5.12 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.271 0.982 . . . . 0.0 109.374 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.74 -37.65 73.47 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.53 1.144 . . . . 0.0 110.488 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.606 ' HA3' ' CD2' ' A' ' 98' ' ' PHE . . . 136.54 -56.08 0.7 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' C ' ' HG ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -90.77 97.08 10.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.578 0.81 . . . . 0.0 110.332 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.556 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.1 mt -144.96 175.4 10.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.721 1.263 . . . . 0.0 109.423 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' A' ' 56' ' ' LEU . 1.7 pp -152.84 143.16 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 mt -127.44 144.56 51.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.9 p -137.8 11.75 2.91 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 110.546 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.64 46.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.208 . . . . 0.0 110.312 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -20.1 65.08 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.331 1.019 . . . . 0.0 109.381 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -43.78 59.84 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.718 1.261 . . . . 0.0 110.292 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' CD2' HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.74 -38.09 88.15 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.06 -36.46 61.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.669 1.231 . . . . 0.0 110.368 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -69.06 -39.69 78.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.102 . . . . 0.0 110.43 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.6 mm-40 -63.59 -50.85 67.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD2' HG22 ' A' ' 26' ' ' VAL . 14.7 mt -44.49 -26.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.78 65.02 0.32 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.23 0.957 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.3 mtt180 -55.38 -42.86 98.17 Favored Pre-proline 0 N--CA 1.451 -0.393 0 O-C-N 124.467 0.746 . . . . 0.0 110.315 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.1 Cg_endo -75.06 62.86 5.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.562 1.822 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.25 -157.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 111.063 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.579 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.79 161.1 31.95 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.669 1.231 . . . . 0.0 109.238 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -61.55 -27.95 68.98 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.745 1.278 . . . . 0.0 110.997 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -56.26 -31.71 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.418 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.15 -20.1 60.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.69 -52.96 17.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.437 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.505 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 14.3 tt0 -48.85 -29.0 4.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.244 0.965 . . . . 0.0 110.196 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.451 ' C ' ' CD1' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -90.33 -37.17 9.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.479 1.112 . . . . 0.0 109.385 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -73.92 70.3 1.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.572 1.17 . . . . 0.0 109.407 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 77' ' ' GLU . 2.4 pp -161.23 105.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 109.146 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.95 -50.93 53.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.419 1.074 . . . . 0.0 109.413 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -162.34 -164.58 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.368 1.043 . . . . 0.0 109.96 -179.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' A' ' 82' ' ' SER . 29.4 m-85 -166.76 -173.03 2.28 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.281 0.988 . . . . 0.0 110.82 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.87 -45.48 1.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.203 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.72 -147.26 9.33 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.634 1.208 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -105.58 166.17 10.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.353 0.678 . . . . 0.0 110.396 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.42 ' C ' ' CD1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -152.06 135.88 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.633 1.208 . . . . 0.0 109.245 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -135.01 162.92 31.09 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.3 153.69 51.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.205 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 4.3 t70 -118.23 -175.58 2.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.3 pp20? -33.63 -48.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.196 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -154.82 60.4 0.67 Allowed 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.48 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.7 pt20 -164.09 165.77 21.99 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 124.609 1.193 . . . . 0.0 110.245 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -139.82 114.63 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 O-C-N 124.605 1.191 . . . . 0.0 109.198 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.497 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -105.82 155.73 19.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.414 1.071 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -123.98 147.94 47.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 110.957 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.497 ' CE2' ' HB2' ' A' ' 95' ' ' ARG . 34.2 m-85 -146.96 131.79 18.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.368 1.042 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD2' ' HA3' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -79.99 17.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.598 1.186 . . . . 0.0 110.98 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.249 0.968 . . . . 0.0 109.162 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.589 ' HA ' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 179.74 -69.95 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -167.34 150.19 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.647 1.217 . . . . 0.0 109.286 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 98' ' ' PHE . 3.7 m -129.81 -174.19 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.202 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.93 98.98 0.15 Allowed Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.414 1.071 . . . . 0.0 111.06 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.473 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 17.8 Cg_endo -75.04 110.95 3.21 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.411 1.743 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 4.0 mm -99.45 141.76 16.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.657 1.223 . . . . 0.0 109.339 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 23.0 pt -158.16 -179.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.402 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HD3' ' CB ' ' A' ' 79' ' ' ASN . 10.7 ptm180 -86.68 163.19 17.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.576 1.172 . . . . 0.0 110.402 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HA ' ' CG2' ' A' ' 48' ' ' VAL . . . -81.36 158.96 24.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.22 -91.67 0.21 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.519 1.137 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -179.42 134.89 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.409 0.711 . . . . 0.0 109.213 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.507 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 0.4 OUTLIER 65.25 19.57 11.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.6 t -79.1 -10.53 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.176 . . . . 0.0 109.266 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.511 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.1 mt-10 -77.98 -58.09 0.9 Allowed Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.574 1.171 . . . . 0.0 110.242 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.9 Cg_endo -74.92 -11.31 21.63 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.433 1.754 . . . . 0.0 111.042 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 21.3 t -90.21 -45.89 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.535 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 5.3 tp -66.55 -32.3 57.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.66 1.225 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.52 -42.34 61.88 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.549 1.156 . . . . 0.0 110.228 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 25' ' ' PRO . 31.6 m -74.39 -26.23 59.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.708 1.255 . . . . 0.0 110.298 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.27 -21.91 49.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.157 . . . . 0.0 109.49 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' OE2' ' CG2' ' A' ' 41' ' ' VAL . 29.4 mt-10 -79.11 -43.26 24.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 33' ' ' ASP . 8.8 pt -62.74 -35.95 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.341 1.026 . . . . 0.0 109.445 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.46 -39.98 64.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 124.282 0.989 . . . . 0.0 109.311 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -101.81 156.9 34.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.42 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 52.32 2.98 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.45 1.763 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.4 60.12 1.57 Allowed Glycine 0 CA--C 1.532 1.135 0 O-C-N 124.514 1.134 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 49.41 1.63 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.492 0.76 . . . . 0.0 109.18 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 179.32 47.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.685 1.241 . . . . 0.0 110.216 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.29 153.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.561 1.163 . . . . 0.0 109.411 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.4 m -128.68 123.99 34.55 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.557 1.161 . . . . 0.0 110.425 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.416 ' CG2' ' OE2' ' A' ' 31' ' ' GLU . 47.4 t -99.27 152.25 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -143.64 78.26 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.19 108.17 17.59 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.775 1.297 . . . . 0.0 109.243 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -80.49 -67.48 0.77 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 164.74 -48.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.183 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.1 -30.86 39.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.49 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -142.44 168.45 19.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 72.1 t -117.33 125.46 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 O-C-N 124.368 1.042 . . . . 0.0 109.205 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -113.0 137.46 51.36 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.312 1.007 . . . . 0.0 110.358 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 mt -130.31 146.37 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.36 1.038 . . . . 0.0 109.279 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.0 106.81 10.23 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.75 1.281 . . . . 0.0 109.251 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -92.46 154.03 18.75 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.603 1.189 . . . . 0.0 109.153 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -14.82 62.68 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.67 -74.05 0.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.069 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 6.6 pt-20 -103.87 119.54 39.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.676 0.868 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 52' ' ' ALA . 3.7 mm? -136.04 166.38 23.49 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.444 1.09 . . . . 0.0 109.147 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.426 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -150.37 138.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mt -133.74 146.49 50.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.628 1.205 . . . . 0.0 109.386 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.4 p -143.11 14.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.256 0.972 . . . . 0.0 110.618 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.91 47.44 1.4 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.63 1.206 . . . . 0.0 110.262 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -20.59 63.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.304 1.002 . . . . 0.0 109.253 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -47.41 67.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.441 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.33 -36.84 82.26 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -14.75 59.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.706 1.254 . . . . 0.0 110.408 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.79 -31.18 17.51 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.62 1.2 . . . . 0.0 110.424 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.424 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 mt-30 -80.11 -43.5 21.6 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.649 1.218 . . . . 0.0 110.325 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.3 mt -40.0 -30.91 0.1 Allowed 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.378 1.049 . . . . 0.0 109.491 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.95 65.74 0.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 110.924 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.1 mtp-105 -50.78 -44.18 84.46 Favored Pre-proline 0 C--N 1.322 -0.591 0 O-C-N 124.461 0.742 . . . . 0.0 110.263 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.8 Cg_endo -74.92 64.0 5.95 Favored 'Trans proline' 0 C--N 1.362 1.267 0 O-C-N 124.335 1.702 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.72 -154.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.574 1.171 . . . . 0.0 110.96 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.596 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.53 -169.14 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 109.152 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 25.4 ptm -90.3 -18.88 24.8 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.51 1.131 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -63.34 -32.12 73.45 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -71.0 -25.35 62.65 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.682 1.239 . . . . 0.0 110.227 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 mp -66.76 -55.34 15.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.658 1.224 . . . . 0.0 109.194 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -66.31 -15.38 63.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.37 1.044 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -90.2 -49.82 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.167 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.41 ' CB ' ' HD3' ' A' ' 18' ' ' ARG . 59.0 m-20 -69.77 64.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.231 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -117.76 160.7 20.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . . . -131.86 -67.7 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.368 1.042 . . . . 0.0 109.144 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.594 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -156.73 -176.91 6.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.888 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.61 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 3.6 m-85 -165.49 172.41 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.98 -37.86 6.51 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.415 1.072 . . . . 0.0 109.453 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.35 -108.69 1.14 Allowed Glycine 0 CA--C 1.533 1.178 0 O-C-N 124.552 1.158 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.86 175.7 10.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 0.8 . . . . 0.0 110.28 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.61 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -132.77 170.3 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.279 0.987 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -155.47 112.75 3.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.656 1.223 . . . . 0.0 110.393 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -99.85 132.21 45.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 109.101 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.8 t0 -92.77 -170.5 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -36.58 -42.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.302 1.002 . . . . 0.0 110.139 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -159.28 53.18 0.39 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.708 1.255 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -149.6 172.55 14.85 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.625 1.203 . . . . 0.0 110.363 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.1 tt -146.07 107.91 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.374 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.32 167.45 10.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -133.71 161.0 35.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.675 1.234 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.499 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 36.6 p90 -173.54 116.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.364 1.04 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CE1' ' HA ' ' A' ' 10' ' ' ASN . 3.0 p90 -40.25 -48.47 2.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.406 ' N ' ' CD1' ' A' ' 98' ' ' PHE . 7.1 m-20 . . . . . 0 C--N 1.323 -0.577 0 O-C-N 124.46 1.1 . . . . 0.0 109.206 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -141.21 -89.72 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.469 1.106 . . . . 0.0 109.209 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 8.3 p-10 -161.4 152.33 18.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 98' ' ' PHE . 1.4 m -103.0 161.6 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 124.443 1.09 . . . . 0.0 109.188 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.87 84.96 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.56 6.12 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.58 1.832 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.427 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 1.1 mp -114.47 116.86 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 pt -139.87 177.81 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.175 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.9 165.52 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -90.14 128.69 36.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.63 1.206 . . . . 0.0 109.354 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.44 -78.34 1.33 Allowed Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.298 0.999 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -177.37 124.69 0.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.625 0.838 . . . . 0.0 109.492 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.491 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 0.6 OUTLIER 66.55 16.92 10.54 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.403 ' O ' HG21 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -79.47 -13.85 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 124.352 1.032 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.527 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -72.97 -58.54 2.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.664 1.227 . . . . 0.0 110.134 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.7 Cg_endo -74.9 -12.34 21.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 6.3 t -87.03 -42.72 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.467 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.403 HG21 ' O ' ' A' ' 23' ' ' VAL . 7.0 tp -67.98 -39.89 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -42.17 93.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 110.216 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 25' ' ' PRO . 23.9 m -74.66 -29.78 61.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.06 -16.12 58.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.642 1.214 . . . . 0.0 109.449 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.49 -39.28 12.69 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pp -68.98 -25.26 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 109.193 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.93 -31.47 59.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 35.4 t30 -106.72 109.73 63.29 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.703 1.252 . . . . 0.0 109.103 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.423 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 17.9 Cg_endo -75.0 -161.53 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.66 -1.11 39.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.606 1.191 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -104.29 132.27 50.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.398 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -168.59 58.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 40' ' ' THR . 2.0 mp -125.33 -90.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.516 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 14.9 t -169.27 167.57 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.344 1.027 . . . . 0.0 110.204 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.447 ' CG1' ' OD1' ' A' ' 43' ' ' ASP . 3.6 t -139.24 148.44 23.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 O-C-N 124.512 1.132 . . . . 0.0 109.204 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -115.59 70.14 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.647 1.217 . . . . 0.0 110.145 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.447 ' OD1' ' CG1' ' A' ' 41' ' ' VAL . 44.2 m-20 -95.41 80.34 3.5 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 9.1 tpt85 -80.42 -66.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER 162.79 -49.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.759 1.287 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.87 95.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -133.22 171.18 14.37 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.378 1.049 . . . . 0.0 111.136 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.1 t -124.75 116.16 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 124.593 1.183 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 19.0 ttt180 -129.27 145.78 51.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.317 1.011 . . . . 0.0 110.345 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.416 HG23 ' CG2' ' A' ' 41' ' ' VAL . 58.4 mt -138.29 160.39 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.132 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.4 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -148.81 132.81 17.18 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.618 1.199 . . . . 0.0 109.26 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . . . -176.62 174.14 1.9 Allowed 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -41.94 163.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.7 49.02 1.83 Allowed Glycine 0 CA--C 1.527 0.817 0 O-C-N 124.627 1.205 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -162.49 63.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.368 0.687 . . . . 0.0 110.397 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 0.3 OUTLIER -103.3 168.73 8.98 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.591 1.182 . . . . 0.0 109.311 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.415 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 2.2 pp -151.13 135.27 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.653 1.221 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.11 129.97 45.88 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.634 1.209 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.3 p -122.73 10.38 9.63 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.539 1.15 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -87.87 33.86 0.72 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -19.16 13.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.442 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 t -69.84 -49.0 56.81 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.36 -38.39 89.93 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.557 1.161 . . . . 0.0 109.206 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -73.45 -26.04 60.76 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 124.367 1.042 . . . . 0.0 110.43 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.8 -38.8 45.76 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 68' ' ' GLY . 1.2 mm-40 -68.06 -47.76 67.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 110.115 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.3 mt -42.14 -28.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.19 65.33 0.31 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.622 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 8.0 mtt180 -50.35 -44.2 81.13 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.605 0.827 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.91 62.26 5.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.612 1.848 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.04 178.04 10.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.407 1.067 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -170.6 -168.8 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.238 0.961 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ASN . 5.6 ptt? -36.11 -55.95 0.76 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.296 0.998 . . . . 0.0 110.946 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -43.82 -45.13 7.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 110.21 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ASN . 2.3 mm-40 -75.09 -37.59 61.48 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.331 1.019 . . . . 0.0 110.097 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.606 ' CD2' ' CE2' ' A' ' 71' ' ' PHE . 55.5 mt -57.91 -42.88 85.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 80' ' ' LEU . 15.1 tt0 -78.26 -13.27 59.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.064 . . . . 0.0 110.238 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -47.61 14.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.35 60.38 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.721 1.263 . . . . 0.0 109.37 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -151.94 162.52 40.93 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.162 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.97 -57.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.585 1.178 . . . . 0.0 109.246 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.546 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -151.79 -175.97 5.44 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.492 1.12 . . . . 0.0 109.913 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 82' ' ' SER . 85.1 m-85 -162.84 -174.59 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.397 1.06 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.68 -44.07 1.69 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -119.26 -139.43 5.99 Favored Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.377 1.048 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -116.25 172.41 7.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 0.732 . . . . 0.0 110.175 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.625 ' CD1' ' CE2' ' A' ' 96' ' ' PHE . 11.5 tt -143.5 151.35 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.424 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -141.32 158.16 44.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.143 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.2 138.31 43.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.326 1.016 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 0.6 OUTLIER -108.53 -174.4 2.51 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.6 pt-20 -31.37 -55.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -149.71 62.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.271 0.982 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.49 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 1.2 pp0? -168.05 164.03 13.57 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.558 1.161 . . . . 0.0 110.398 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.56 118.52 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.403 ' CB ' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -111.19 163.85 13.48 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.625 ' CE2' ' CD1' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -133.58 146.16 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.742 1.276 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 54.2 p90 -159.76 152.92 21.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 83.2 t80 -115.95 71.88 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.184 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -132.15 -87.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.072 . . . . 0.0 109.496 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -153.91 127.11 8.45 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.589 1.181 . . . . 0.0 109.217 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.453 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -108.05 163.83 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.375 1.047 . . . . 0.0 109.244 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.5 83.99 0.13 Allowed Glycine 0 CA--C 1.527 0.8 0 O-C-N 124.624 1.202 . . . . 0.0 110.992 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.96 129.15 12.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.341 1.706 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.06 109.93 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.591 1.182 . . . . 0.0 109.48 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -119.64 167.61 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.367 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 158.46 32.56 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.673 1.233 . . . . 0.0 110.256 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.27 107.67 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.397 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.99 -92.05 0.43 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 0.0 111.174 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.57 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.676 0.868 . . . . 0.0 109.137 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -106.65 18.9 21.27 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.577 1.173 . . . . 0.0 109.151 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.4 t -77.55 -10.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 124.627 1.204 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.544 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.3 OUTLIER -76.71 -59.32 0.99 Allowed Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.396 1.06 . . . . 0.0 110.178 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -74.88 -10.49 21.43 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.639 1.863 . . . . 0.0 110.938 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 16.4 t -89.92 -43.31 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.376 1.048 . . . . 0.0 109.188 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 24' ' ' GLU . 3.8 tp -70.64 -34.36 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -42.74 70.43 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.686 1.241 . . . . 0.0 110.238 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 m -77.73 -26.37 49.97 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.462 1.101 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -79.63 -22.36 43.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -84.25 -42.61 15.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.665 1.228 . . . . 0.0 110.426 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 pp -65.22 -30.0 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.437 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -36.34 84.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.91 165.85 13.22 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.9 55.81 4.0 Favored 'Trans proline' 0 C--N 1.358 1.046 0 O-C-N 124.623 1.854 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.74 58.49 1.84 Allowed Glycine 0 CA--C 1.527 0.793 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 31.59 1.36 Allowed 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 124.323 0.661 . . . . 0.0 109.297 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 3.2 pt-20 -178.31 59.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.222 0.951 . . . . 0.0 110.268 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 40' ' ' THR . 41.9 mm -120.64 165.16 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.357 1.036 . . . . 0.0 109.432 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.437 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 6.2 m -131.27 113.48 13.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.333 1.021 . . . . 0.0 110.305 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.38 144.99 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.176 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.42 82.08 2.0 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.687 1.242 . . . . 0.0 110.254 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.77 98.03 9.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.625 1.203 . . . . 0.0 109.331 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -79.98 -76.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.313 1.008 . . . . 0.0 110.36 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.01 -46.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.108 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' CD1' ' A' ' 47' ' ' TYR . . . -76.98 -33.38 57.63 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 33.7 m-85 -145.96 177.94 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.5 t -120.07 128.48 75.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.703 1.252 . . . . 0.0 109.378 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 7.4 ttt180 -123.63 156.09 36.49 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.478 1.111 . . . . 0.0 110.205 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 7.7 mt -141.15 168.51 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -148.71 116.47 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.32 1.013 . . . . 0.0 109.333 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.32 -174.5 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.302 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.03 -33.91 24.4 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.92 40.48 0.34 Allowed Glycine 0 CA--C 1.527 0.819 0 O-C-N 124.457 1.098 . . . . 0.0 111.25 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 4.2 pt-20 -178.03 110.78 0.07 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.33 0.665 . . . . 0.0 110.293 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.9 mt -146.95 167.74 23.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 109.215 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.49 123.96 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.353 1.033 . . . . 0.0 109.555 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.08 123.78 43.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 0.0 109.247 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.1 p -119.64 6.38 11.02 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.628 1.205 . . . . 0.0 110.438 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.52 46.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.179 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -21.73 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.269 0.981 . . . . 0.0 109.416 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -70.38 -51.91 26.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.698 1.249 . . . . 0.0 110.608 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' CD1' HG11 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -67.89 -29.11 68.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.694 1.246 . . . . 0.0 109.166 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.11 -24.07 40.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.15 -35.26 31.72 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.562 1.164 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -70.96 -46.19 62.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.346 1.029 . . . . 0.0 110.234 179.845 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.479 ' CD1' HG12 ' A' ' 26' ' ' VAL . 21.5 mt -40.78 -31.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.66 65.3 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.623 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 22.2 mtp180 -51.81 -44.05 89.97 Favored Pre-proline 0 C--N 1.322 -0.618 0 O-C-N 124.525 0.78 . . . . 0.0 110.347 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.0 64.64 6.06 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.414 1.744 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.715 ' CE2' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.88 -169.99 2.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -171.39 -175.52 1.65 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.311 1.007 . . . . 0.0 109.34 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.492 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -49.34 -75.1 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.324 1.015 . . . . 0.0 111.122 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.478 ' HB2' ' CE ' ' A' ' 73' ' ' MET . 1.9 tt0 -38.44 -52.98 1.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.523 1.14 . . . . 0.0 110.49 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -62.28 -39.19 92.12 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.634 1.209 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.715 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -52.31 -52.96 50.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 124.361 1.038 . . . . 0.0 109.362 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 6.9 tt0 -63.11 -15.9 58.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.183 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -90.56 -38.55 10.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.36 1.038 . . . . 0.0 109.316 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -79.29 66.25 4.69 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.581 1.176 . . . . 0.0 109.247 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -146.09 166.58 25.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.622 1.201 . . . . 0.0 109.287 179.723 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.3 -54.1 2.31 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.594 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -170.74 179.53 3.19 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 82' ' ' SER . 42.2 m-85 -164.92 152.85 11.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.635 1.21 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -108.08 -21.91 12.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.453 ' HA3' ' CG1' ' A' ' 13' ' ' VAL . . . -119.78 -160.2 11.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -111.86 168.85 9.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.594 0.82 . . . . 0.0 110.369 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.53 HG22 ' CZ ' ' A' ' 96' ' ' PHE . 1.8 pt -149.8 151.06 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 109.181 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 89' ' ' ALA . 2.3 tt0 -148.34 138.46 22.52 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.329 1.018 . . . . 0.0 110.179 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 88' ' ' GLN . . . -110.46 149.08 30.81 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.258 0.974 . . . . 0.0 109.145 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -120.41 -173.63 2.61 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.398 1.061 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.1 pt-20 -29.72 -61.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 92' ' ' ASP . 9.6 p-10 -146.97 60.86 1.19 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.699 1.25 . . . . 0.0 109.434 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 6.1 pt20 -173.44 179.16 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.353 1.033 . . . . 0.0 110.249 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -160.83 126.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 0.0 109.192 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.21 137.1 54.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.53 ' CZ ' HG22 ' A' ' 87' ' ' ILE . 4.1 m-85 -95.37 156.74 16.19 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -176.84 150.44 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.71 1.256 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -104.91 -20.77 13.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 5.2 p-10 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.69 -63.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.403 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -162.04 176.22 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.603 ' CG2' ' CB ' ' A' ' 52' ' ' ALA . 2.0 m -106.14 132.49 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.421 1.076 . . . . 0.0 109.269 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.07 73.22 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 132.39 15.2 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.648 1.868 . . . . 0.0 110.796 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mm -123.15 139.23 50.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 pt -150.87 161.96 3.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 8.4 ptm180 -99.35 51.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.419 1.074 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -57.79 -161.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.338 1.024 . . . . 0.0 109.187 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.16 46.92 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.254 0.971 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -147.02 -65.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.388 0.699 . . . . 0.0 109.403 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -148.57 21.4 1.04 Allowed 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -78.34 -10.77 13.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 124.516 1.135 . . . . 0.0 109.192 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.544 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.5 mt-10 -74.84 -58.96 1.53 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.326 1.016 . . . . 0.0 110.198 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.9 Cg_endo -75.1 -13.48 21.19 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.501 1.79 . . . . 0.0 110.777 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 63' ' ' LEU . 4.5 t -85.11 -40.92 15.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 124.648 1.217 . . . . 0.0 109.195 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 28' ' ' GLU . 6.8 tp -71.58 -40.66 71.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.293 0.996 . . . . 0.0 109.411 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' N ' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -62.78 -39.75 95.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.352 1.032 . . . . 0.0 110.13 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.0 m -78.73 -31.39 46.35 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.58 58.78 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -87.29 -40.96 14.03 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.544 1.153 . . . . 0.0 110.4 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -63.27 -34.56 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.118 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.32 -39.32 79.1 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -96.14 177.34 1.77 Allowed Pre-proline 0 N--CA 1.449 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.386 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 18.2 Cg_endo -75.09 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.395 1.734 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' PRO . . . 37.71 31.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.407 1.067 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -90.78 33.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 0.762 . . . . 0.0 109.276 -179.852 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.59 46.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' THR . 1.5 mp -144.56 161.46 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.657 1.223 . . . . 0.0 109.178 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 22.7 m -128.6 154.77 45.88 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.444 1.09 . . . . 0.0 110.394 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -117.1 162.5 15.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 124.552 1.158 . . . . 0.0 109.459 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.61 84.98 1.93 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -94.91 122.08 37.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.63 1.206 . . . . 0.0 109.36 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 25.2 tpt180 -94.23 -42.43 8.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.41 1.069 . . . . 0.0 110.245 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 158.68 -65.76 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.381 1.051 . . . . 0.0 110.154 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' ALA . . . -85.72 -60.07 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.14 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 18' ' ' ARG . 54.9 m-85 -75.67 179.34 5.44 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.696 1.247 . . . . 0.0 110.766 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.441 HG22 ' CG1' ' A' ' 23' ' ' VAL . 55.1 t -147.08 125.92 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.626 1.204 . . . . 0.0 109.205 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 20.2 ttt180 -125.67 155.58 40.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.353 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.441 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 12.9 mt -132.83 153.32 37.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 0.0 109.346 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.99 79.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.224 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.603 ' CB ' ' CG2' ' A' ' 13' ' ' VAL . . . -92.26 174.76 7.13 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.637 1.211 . . . . 0.0 109.189 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -90.2 -132.7 0.1 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.49 1.119 . . . . 0.0 110.454 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.566 ' HA2' ' CD2' ' A' ' 98' ' ' PHE . . . -53.67 -96.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.311 1.007 . . . . 0.0 110.783 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -122.6 146.66 47.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.407 0.71 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 52' ' ' ALA . 4.2 mm? -120.47 -173.1 2.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.282 0.989 . . . . 0.0 109.489 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.445 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -147.8 149.19 15.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.4 mt -148.87 129.75 14.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.409 1.068 . . . . 0.0 109.268 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.9 p -117.05 12.67 14.63 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.342 1.026 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.51 32.5 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.41 1.069 . . . . 0.0 110.202 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -56.55 -24.56 47.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.627 1.204 . . . . 0.0 109.19 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 t -73.57 -35.41 65.45 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.294 0.996 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.9 tp -69.49 -43.85 72.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.564 1.165 . . . . 0.0 109.417 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -34.88 66.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.14 . . . . 0.0 110.183 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.62 -38.94 73.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.364 1.04 . . . . 0.0 110.181 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.489 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.2 mt-30 -62.12 -47.71 83.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.668 1.23 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 79.0 mt -39.58 -31.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.782 1.301 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.619 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -158.39 65.89 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.573 1.171 . . . . 0.0 110.92 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 43.1 mtm180 -52.16 -44.01 91.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.85 61.29 5.51 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.35 -160.42 0.84 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.657 1.223 . . . . 0.0 110.989 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.559 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -149.02 -165.17 2.21 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.564 1.165 . . . . 0.0 109.202 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -14.82 59.21 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.477 1.11 . . . . 0.0 110.941 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -58.25 -47.01 84.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' ASN . 2.0 mt-10 -53.99 -31.15 49.99 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.358 1.036 . . . . 0.0 110.188 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.98 -49.97 72.58 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.48 1.113 . . . . 0.0 109.225 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' O ' HD22 ' A' ' 80' ' ' LEU . 6.3 pt-20 -79.91 -18.44 50.54 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.488 1.118 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 79' ' ' ASN . 1.2 mp -85.93 -68.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.163 . . . . 0.0 109.237 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.497 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 94.8 m-20 -71.9 77.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.599 1.187 . . . . 0.0 109.174 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -146.09 163.83 34.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.705 1.253 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.47 -62.87 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.5 1.125 . . . . 0.0 109.124 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.551 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -154.81 -178.16 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.083 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 82' ' ' SER . 33.7 m-85 -169.73 175.79 5.14 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.16 -74.32 0.61 Allowed 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.541 1.15 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.42 -137.16 6.26 Favored Glycine 0 CA--C 1.533 1.196 0 O-C-N 124.566 1.167 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.68 176.93 7.91 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 124.565 0.803 . . . . 0.0 110.289 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.58 ' CG2' ' CZ ' ' A' ' 96' ' ' PHE . 19.4 pt -135.63 155.82 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.733 1.271 . . . . 0.0 109.265 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -135.43 138.37 43.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.254 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.12 131.66 56.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.489 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 5.2 t0 -100.65 -177.53 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.38 1.05 . . . . 0.0 109.146 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.8 pt-20 -33.53 -54.99 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -147.24 60.84 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.743 ' NE2' HH11 ' A' ' 95' ' ' ARG . 0.0 OUTLIER -170.19 170.83 7.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.21 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.437 ' N ' ' OE1' ' A' ' 93' ' ' GLN . 0.2 OUTLIER -150.51 139.52 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.602 1.189 . . . . 0.0 109.376 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.743 HH11 ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -132.96 175.97 8.9 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.333 1.02 . . . . 0.0 110.254 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.58 ' CZ ' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -132.43 160.42 36.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' A' ' 95' ' ' ARG . 98.4 m-85 -148.34 143.27 26.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -85.8 14.35 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.061 . . . . 0.0 110.943 -179.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.626 1.204 . . . . 0.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -139.22 149.17 44.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.404 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.49 174.3 10.02 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.49 1.119 . . . . 0.0 109.404 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.12 162.23 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.047 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.83 159.14 40.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.533 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.94 153.93 38.68 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.369 1.043 . . . . 0.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.8 44.34 1.18 Allowed 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.4 mt -82.29 83.83 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.33 1.019 . . . . 0.0 109.358 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.567 ' CE1' ' OD1' ' A' ' 10' ' ' ASN . 8.4 t-160 -174.59 173.17 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.703 1.252 . . . . 0.0 109.546 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.567 ' OD1' ' CE1' ' A' ' 9' ' ' HIS . 9.0 p-10 -74.02 143.36 45.57 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.41 1.069 . . . . 0.0 109.369 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 12.3 m-20 -139.57 -74.26 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.658 1.224 . . . . 0.0 109.302 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -161.29 128.7 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.175 . . . . 0.0 109.135 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' CG2' ' HB1' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -102.22 137.04 31.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.96 77.26 0.32 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.82 122.4 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.42 1.747 . . . . 0.0 111.196 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 4.8 mm -116.74 126.43 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.93 150.66 16.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 O-C-N 124.856 1.347 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -52.43 165.23 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 0.0 110.411 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.0 165.34 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.95 -87.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -177.95 155.15 0.96 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.552 0.795 . . . . 0.0 109.173 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 1.4 mp 67.8 16.69 9.73 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.697 1.248 . . . . 0.0 109.251 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -81.16 -12.73 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.491 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -74.26 -57.65 2.16 Favored Pre-proline 0 N--CA 1.45 -0.438 0 O-C-N 124.355 1.034 . . . . 0.0 110.138 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.8 Cg_endo -75.05 -15.34 20.69 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 124.409 1.742 . . . . 0.0 111.011 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 6.5 t -83.62 -42.1 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 28' ' ' GLU . 8.6 tp -67.22 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.376 1.047 . . . . 0.0 109.162 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' N ' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -65.39 -39.35 92.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.41 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 m -79.3 -26.12 42.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.76 1.287 . . . . 0.0 110.507 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.32 -16.6 48.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.2 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -89.16 -36.53 15.63 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.425 ' CG2' ' O ' ' A' ' 28' ' ' GLU . 1.1 pp -70.94 -31.31 44.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.176 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -58.61 -26.84 64.11 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.488 1.117 . . . . 0.0 109.211 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -115.79 146.21 36.36 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.486 1.116 . . . . 0.0 109.402 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 55.62 4.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.621 1.853 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.41 61.53 1.49 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.02 46.13 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.525 0.779 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 179.49 49.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.387 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 40' ' ' THR . 2.6 mp -130.12 163.87 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.4 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.493 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 5.6 m -132.86 143.14 49.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 42' ' ' GLU . 85.7 t -112.12 163.31 9.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' N ' HG13 ' A' ' 41' ' ' VAL . 3.2 mt-10 -147.28 70.77 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -93.16 109.07 20.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 109.228 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 15.9 tpt180 -81.39 -57.28 3.55 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.541 1.151 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 162.66 -47.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.237 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.65 -41.99 43.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 109.413 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -128.7 167.57 17.04 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.578 1.174 . . . . 0.0 111.166 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.78 117.36 50.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.365 1.041 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 27.1 ttt180 -119.79 148.95 42.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.33 1.018 . . . . 0.0 110.387 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.1 mt -134.42 168.55 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.234 0.959 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.28 82.24 1.65 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.75 1.281 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 13' ' ' VAL . . . -88.06 178.8 6.55 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.421 1.076 . . . . 0.0 109.205 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.3 tt0 -68.11 -54.43 18.19 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.76 -50.68 0.34 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.308 1.005 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -99.43 96.12 7.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 0.818 . . . . 0.0 110.333 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.44 HD23 ' CB ' ' A' ' 52' ' ' ALA . 2.0 mm? -126.9 164.72 20.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 0.0 109.374 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 57' ' ' ILE . 2.7 pp -148.54 116.83 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.65 140.96 42.87 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.639 1.212 . . . . 0.0 109.443 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.4 p -129.82 14.47 5.86 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.649 1.218 . . . . 0.0 110.333 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.05 33.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.508 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -22.11 61.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.672 1.232 . . . . 0.0 109.26 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -69.81 -48.17 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.399 1.062 . . . . 0.0 110.307 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -63.16 -34.12 76.95 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -22.13 47.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.725 1.265 . . . . 0.0 110.245 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -37.75 26.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.456 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -65.04 -40.3 94.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 110.353 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 35.3 mt -42.21 -28.43 0.19 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.275 0.984 . . . . 0.0 109.166 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.611 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.18 65.6 0.3 Allowed Glycine 0 CA--C 1.532 1.151 0 O-C-N 124.527 1.142 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.621 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 35.1 mtm180 -53.53 -43.56 95.98 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.622 0.836 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 17.9 Cg_endo -74.96 62.37 5.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.645 1.866 . . . . 0.0 111.109 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.16 -157.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.6 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -140.61 -166.25 2.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.562 1.164 . . . . 0.0 109.502 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.478 ' HA ' ' CD1' ' A' ' 76' ' ' LEU . 28.0 mtt -89.83 -17.34 28.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.434 1.083 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.77 -28.95 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.383 1.052 . . . . 0.0 110.225 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.58 -35.09 78.35 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.326 1.016 . . . . 0.0 110.136 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 73' ' ' MET . 3.9 mp -61.49 -59.43 5.24 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.58 -13.49 22.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 110.15 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -87.36 -44.1 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.404 1.065 . . . . 0.0 109.321 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -70.73 60.84 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.536 1.147 . . . . 0.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.05 141.94 47.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.47 -52.24 1.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.539 1.149 . . . . 0.0 109.391 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.418 ' N ' ' HB ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -166.12 170.99 12.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.66 1.225 . . . . 0.0 110.055 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -153.84 172.82 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.646 1.216 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.13 -45.14 1.02 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.348 1.03 . . . . 0.0 109.407 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.0 -146.26 10.12 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -111.2 177.07 4.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.442 0.731 . . . . 0.0 110.271 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -159.95 148.19 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 124.63 1.206 . . . . 0.0 109.376 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.423 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 28.6 mt-30 -143.17 117.87 9.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 110.367 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -96.16 151.3 19.61 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' CD ' ' A' ' 93' ' ' GLN . 10.0 t70 -119.15 -176.31 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 90' ' ' ASP . 6.2 pt-20 -34.15 -52.51 0.46 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.555 1.16 . . . . 0.0 110.197 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -149.72 59.75 1.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.349 1.031 . . . . 0.0 109.143 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.492 ' NE2' ' NE ' ' A' ' 95' ' ' ARG . 1.6 pt20 -163.63 164.99 23.86 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 124.596 1.185 . . . . 0.0 110.222 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -142.24 112.95 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.668 1.23 . . . . 0.0 109.316 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.492 ' NE ' ' NE2' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -110.79 132.8 53.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.601 1.188 . . . . 0.0 110.421 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.11 138.25 44.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.657 1.223 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 95' ' ' ARG . 46.2 m-85 -140.57 132.66 27.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 11' ' ' ASN . 3.6 t80 -88.2 -25.69 22.78 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.15 134.35 17.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.309 1.006 . . . . 0.0 109.477 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -79.32 0.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.56 1.163 . . . . 0.0 109.257 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.5 t -67.08 124.25 22.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.706 1.254 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.418 1.074 . . . . 0.0 111.008 179.782 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 m 61.76 124.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.526 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pp -150.94 116.95 5.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.0 120.25 12.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.384 1.052 . . . . 0.0 109.362 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.49 110.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.358 1.036 . . . . 0.0 109.255 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -103.76 152.17 22.17 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.668 1.23 . . . . 0.0 110.364 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.18 65.86 0.71 Allowed 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mt -137.49 -63.3 0.59 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.477 1.11 . . . . 0.0 109.388 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.08 175.15 0.14 Allowed 'General case' 0 C--N 1.319 -0.73 0 O-C-N 124.661 1.225 . . . . 0.0 109.555 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -80.36 139.64 36.46 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.39 1.056 . . . . 0.0 109.216 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -139.31 -48.59 0.48 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.707 1.254 . . . . 0.0 109.246 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 179.94 147.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.271 0.982 . . . . 0.0 109.42 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 ' CG2' ' HA2' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -114.38 166.07 8.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.807 1.317 . . . . 0.0 109.494 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.2 85.28 0.13 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.271 0.982 . . . . 0.0 111.208 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.8 130.72 13.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.544 1.813 . . . . 0.0 111.062 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 8.9 mm -116.99 138.33 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.477 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 4.3 pt -157.45 -173.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.382 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -167.14 1.04 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.467 ' CB ' HG23 ' A' ' 48' ' ' VAL . . . -167.11 154.18 8.73 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.04 64.4 0.27 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.591 1.182 . . . . 0.0 111.016 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -179.61 -147.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.643 0.849 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 2.3 mm? -89.64 27.71 1.45 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.436 1.085 . . . . 0.0 109.131 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 2.5 t -74.71 -9.47 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.728 1.267 . . . . 0.0 109.468 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.578 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.7 mt-10 -77.03 -60.81 0.75 Allowed Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.418 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.578 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.2 Cg_endo -75.02 -9.75 20.88 Favored 'Trans proline' 0 C--N 1.357 1.0 0 O-C-N 124.624 1.855 . . . . 0.0 110.973 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 23.9 t -90.16 -44.23 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.446 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 7.9 tp -70.11 -38.78 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 O-C-N 124.409 1.068 . . . . 0.0 109.213 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -45.03 81.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.0 m -73.93 -29.82 62.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.36 1.038 . . . . 0.0 110.45 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -74.95 -14.67 60.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.617 1.198 . . . . 0.0 109.204 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.26 -43.1 11.82 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' C ' ' CD1' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -66.81 -24.18 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.712 1.258 . . . . 0.0 109.152 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.62 -41.55 90.68 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 56' ' ' LEU . 6.3 t30 -98.86 141.71 23.36 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.315 1.009 . . . . 0.0 109.071 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 54.27 3.56 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.403 1.738 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.46 60.35 1.54 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.706 1.254 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 56.68 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.602 0.824 . . . . 0.0 109.133 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 179.08 43.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -125.66 154.91 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 39' ' ' ILE . 21.9 m -125.48 121.46 33.81 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.314 1.009 . . . . 0.0 110.413 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.9 t -91.22 149.69 4.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 124.462 1.102 . . . . 0.0 109.135 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' CB ' ' HG2' ' A' ' 49' ' ' ARG . 4.5 mt-10 -133.05 77.5 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.796 1.31 . . . . 0.0 110.41 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.61 100.37 12.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.652 1.22 . . . . 0.0 109.385 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -81.16 -71.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.655 1.222 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.04 -42.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.18 30.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.635 1.21 . . . . 0.0 109.474 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -136.72 169.8 17.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.721 1.263 . . . . 0.0 111.025 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 19' ' ' ALA . 3.3 t -123.6 126.26 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.053 . . . . 0.0 109.064 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' HG2' ' CB ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -134.45 154.54 51.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.614 1.196 . . . . 0.0 110.42 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mt -133.83 175.71 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.38 8.74 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.473 ' CB ' HG12 ' A' ' 39' ' ' ILE . . . -135.39 -175.44 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.598 1.186 . . . . 0.0 109.394 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -32.9 48.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.397 1.061 . . . . 0.0 110.359 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . 115.44 50.39 0.45 Allowed Glycine 0 CA--C 1.527 0.838 0 O-C-N 124.388 1.055 . . . . 0.0 111.083 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -178.46 87.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.448 0.734 . . . . 0.0 110.236 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' CD2' HD11 ' A' ' 39' ' ' ILE . 1.2 mt -134.57 176.1 8.94 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.819 1.324 . . . . 0.0 109.403 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.488 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -157.08 103.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.555 1.16 . . . . 0.0 109.257 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 mt -92.68 150.61 20.58 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.605 1.19 . . . . 0.0 109.3 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.0 p -134.88 8.96 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.281 0.988 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -84.18 45.46 1.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.681 1.238 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.28 -24.48 64.87 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.634 1.209 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -72.09 -34.46 68.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.469 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -42.47 72.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -25.81 55.58 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.16 -37.06 39.33 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.462 1.102 . . . . 0.0 110.101 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.481 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -69.84 -46.76 64.89 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 124.557 1.161 . . . . 0.0 110.393 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.5 mt -42.75 -28.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.415 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.603 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.75 65.36 0.31 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.559 1.162 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 29.2 mtp180 -53.8 -43.51 96.46 Favored Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.628 0.84 . . . . 0.0 110.44 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.82 62.18 5.65 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.414 1.744 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.63 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.23 -159.07 0.67 Allowed 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.68 1.237 . . . . 0.0 110.903 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.585 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -151.24 -165.13 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -80.72 -10.87 59.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.4 -36.47 84.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.99 -25.36 63.57 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.36 -54.03 39.35 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.533 1.146 . . . . 0.0 109.131 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.45 -30.56 69.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -69.57 -60.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.446 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 23.8 m-20 -71.1 81.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.526 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -162.57 173.78 13.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.344 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.64 -66.27 0.84 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -159.45 -165.25 1.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.405 ' CG ' ' O ' ' A' ' 82' ' ' SER . 41.5 m-85 -162.15 160.05 26.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.44 1.088 . . . . 0.0 110.919 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.11 7.18 9.18 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.69 -156.71 7.46 Favored Glycine 0 CA--C 1.533 1.171 0 O-C-N 124.225 0.953 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.14 165.74 11.37 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.517 0.775 . . . . 0.0 110.445 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.544 HD13 ' CE2' ' A' ' 96' ' ' PHE . 8.8 tt -152.2 147.13 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.667 1.229 . . . . 0.0 109.239 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.71 168.67 19.25 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.604 1.19 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.02 130.29 31.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.431 1.082 . . . . 0.0 109.164 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.482 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 2.8 t70 -103.97 -179.46 3.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.731 1.27 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 90' ' ' ASP . 9.5 pt-20 -33.51 -51.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.639 1.212 . . . . 0.0 110.213 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -151.17 61.77 0.9 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.57 1.169 . . . . 0.0 109.132 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.482 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -170.62 174.01 5.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.34 1.025 . . . . 0.0 110.368 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.1 tt -141.8 105.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.8 149.2 24.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.231 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.544 ' CE2' HD13 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -131.08 147.78 52.66 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.426 1.079 . . . . 0.0 110.902 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -176.86 165.74 2.47 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -114.73 -28.41 7.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.5 144.78 16.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.424 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.85 -65.59 1.01 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.152 . . . . 0.0 109.427 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -82.06 133.21 35.27 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.682 1.238 . . . . 0.0 110.454 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.7 ttt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.559 1.162 . . . . 0.0 111.042 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.1 p -101.04 -179.67 4.11 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 124.327 1.017 . . . . 0.0 110.399 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.37 170.87 11.62 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.457 1.098 . . . . 0.0 109.217 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.66 154.34 39.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.219 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -96.21 176.46 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.407 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -113.18 172.77 6.74 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 124.546 1.154 . . . . 0.0 110.245 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.57 101.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 0.0 109.388 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CB ' ' HG2' ' A' ' 100' ' ' LYS . 1.3 mp -72.81 123.27 23.02 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 10' ' ' ASN . 4.4 t60 172.13 162.13 0.11 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.574 1.171 . . . . 0.0 109.691 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 2.6 t30 -44.75 120.38 2.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 109.273 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -149.1 -88.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.719 1.262 . . . . 0.0 109.127 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -149.92 151.02 32.74 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.542 1.151 . . . . 0.0 109.398 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 HG22 ' CB ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -130.26 160.28 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.94 82.84 0.17 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.4 1.062 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 116.37 4.56 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.56 1.821 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.2 mm -100.87 108.72 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.31 172.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 124.389 1.056 . . . . 0.0 109.501 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.78 160.39 30.04 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.359 1.037 . . . . 0.0 110.178 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.63 151.35 21.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.394 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.03 -90.89 0.1 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -177.3 150.3 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.454 0.738 . . . . 0.0 109.545 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.509 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 0.3 OUTLIER 66.54 18.1 10.74 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 124.418 1.074 . . . . 0.0 109.482 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.402 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 1.7 t -79.92 -9.65 12.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.52 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -78.25 -58.0 0.86 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.392 1.057 . . . . 0.0 110.274 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.7 Cg_endo -75.2 -12.83 21.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.649 1.868 . . . . 0.0 110.866 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 15.1 t -87.04 -43.67 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 23' ' ' VAL . 8.0 tp -68.97 -43.34 82.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -43.11 99.53 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.2 m -72.43 -33.86 67.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.38 -15.67 62.38 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.501 1.125 . . . . 0.0 109.241 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -84.27 -38.0 21.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.377 1.048 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -24.82 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.474 1.109 . . . . 0.0 109.447 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -66.22 -25.03 66.72 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.74 168.93 10.75 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.257 0.973 . . . . 0.0 109.242 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 54.03 3.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.822 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.26 61.32 1.54 Allowed Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.502 1.126 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.27 39.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.697 0.881 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 179.4 37.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.9 mm -87.97 147.59 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.171 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -128.55 112.49 14.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.71 1.256 . . . . 0.0 110.457 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.8 t -96.54 163.07 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.393 1.058 . . . . 0.0 109.372 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -153.59 97.52 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -78.24 109.68 12.57 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.3 tpm_? -80.45 -69.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.343 1.027 . . . . 0.0 110.288 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 161.16 -55.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -84.53 -35.66 22.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.494 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 20.7 m-85 -135.85 165.9 24.56 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.687 1.242 . . . . 0.0 111.002 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -104.15 136.73 36.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 124.569 1.168 . . . . 0.0 109.224 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -122.42 136.37 54.88 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.505 1.128 . . . . 0.0 110.208 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.9 mt -127.43 168.31 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.23 128.9 18.2 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.583 1.177 . . . . 0.0 109.37 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' CB ' ' CD1' ' A' ' 56' ' ' LEU . . . -130.38 -172.92 2.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.595 1.184 . . . . 0.0 109.554 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -83.32 -46.13 12.97 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.515 1.134 . . . . 0.0 110.182 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.09 -51.83 0.29 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.532 1.145 . . . . 0.0 111.093 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.82 121.2 43.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 0.782 . . . . 0.0 110.181 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -137.13 173.21 11.93 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.425 1.078 . . . . 0.0 109.238 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -158.28 132.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.401 1.063 . . . . 0.0 109.442 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.427 ' C ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -134.35 158.26 44.26 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.64 1.213 . . . . 0.0 109.5 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.427 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 22.0 p -149.73 19.4 0.91 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.359 1.037 . . . . 0.0 110.212 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -87.55 46.21 1.36 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.444 1.09 . . . . 0.0 110.231 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -18.32 51.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.322 1.014 . . . . 0.0 109.444 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.6 t -74.1 -47.34 36.96 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.408 1.067 . . . . 0.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -65.07 -38.46 90.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -73.6 -33.29 64.53 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.612 1.195 . . . . 0.0 110.349 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.13 -39.76 71.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -65.72 -49.36 68.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 124.33 1.019 . . . . 0.0 110.353 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -42.86 -27.77 0.21 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.622 1.201 . . . . 0.0 109.188 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.83 65.19 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.376 1.048 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.1 mtt-85 -53.83 -43.46 96.43 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.547 0.792 . . . . 0.0 110.416 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.1 Cg_endo -74.93 62.16 5.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.635 1.861 . . . . 0.0 111.067 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.15 -157.73 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 110.958 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.588 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -163.58 -169.83 2.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -75.12 -14.25 60.55 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 124.693 1.246 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -44.77 95.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.417 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 2.1 mt-10 -63.3 -32.98 74.54 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.517 1.135 . . . . 0.0 110.199 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -48.56 75.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 14.9 tt0 -51.38 -32.66 26.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.279 0.987 . . . . 0.0 110.279 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -89.82 -30.77 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 75' ' ' GLU . 19.1 m120 -70.2 60.52 0.19 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 124.488 1.117 . . . . 0.0 109.197 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -159.43 80.44 0.74 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.725 1.266 . . . . 0.0 109.428 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.85 -41.81 58.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.783 1.302 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.478 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -166.57 -170.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.191 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CD1' ' O ' ' A' ' 82' ' ' SER . 11.2 m-85 -163.33 151.83 13.95 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.625 1.203 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -109.28 -16.95 13.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.329 1.018 . . . . 0.0 109.402 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.22 -138.84 3.66 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.507 1.129 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -122.4 156.94 32.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.666 0.863 . . . . 0.0 110.314 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.536 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 7.5 tt -131.4 158.37 43.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -143.41 169.14 18.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.469 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.32 138.52 25.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.213 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.479 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 2.5 t70 -108.93 179.66 4.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.49 -47.84 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.115 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.54 64.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.162 . . . . 0.0 109.337 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.479 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -173.28 167.14 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.624 1.203 . . . . 0.0 110.245 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.439 ' N ' ' OE1' ' A' ' 93' ' ' GLN . 1.4 tt -142.92 122.21 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.706 1.254 . . . . 0.0 109.341 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.37 167.82 13.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 1.186 . . . . 0.0 110.219 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CE2' ' HB ' ' A' ' 87' ' ' ILE . 25.5 m-85 -129.41 157.15 42.76 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.429 1.081 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 8.9 p90 -163.88 129.67 3.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.68 1.237 . . . . 0.0 110.975 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -90.66 -28.28 18.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.35 1.031 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.21 169.78 0.55 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.475 ' HG2' ' CB ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -138.48 -168.61 2.42 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.606 1.191 . . . . 0.0 109.489 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 100' ' ' LYS . 2.6 t -37.02 140.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.232 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.45 -0.448 0 O-C-N 124.587 1.179 . . . . 0.0 111.053 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m 58.3 97.66 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.04 130.04 13.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -146.65 169.27 19.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 124.33 1.019 . . . . 0.0 109.359 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -143.08 146.01 33.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.622 1.201 . . . . 0.0 109.197 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -122.34 88.18 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.644 1.215 . . . . 0.0 110.275 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.2 48.96 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.692 1.245 . . . . 0.0 109.274 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mp -115.11 101.94 9.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.113 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.579 ' CG ' ' N ' ' A' ' 10' ' ' ASN . 6.0 t-80 172.96 169.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.739 1.274 . . . . 0.0 109.561 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.579 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 1.1 m-20 -40.46 136.35 1.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 109.196 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.505 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 10.3 m-20 -161.68 -69.74 0.06 Allowed 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.426 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 52' ' ' ALA . 1.8 p30 -172.9 146.69 1.58 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.609 1.193 . . . . 0.0 109.196 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 98' ' ' PHE . 1.8 m -102.39 138.08 27.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -126.76 78.28 0.38 Allowed Glycine 0 CA--C 1.527 0.844 0 O-C-N 124.339 1.025 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.14 137.81 21.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 5.7 mm -126.38 127.79 70.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 pt -141.26 -161.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 109.425 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -111.85 163.27 14.38 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.255 0.972 . . . . 0.0 110.347 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -84.99 106.36 16.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 1.128 . . . . 0.0 109.215 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.14 -85.98 0.96 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.681 1.238 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.96 130.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 0.0 109.208 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.471 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 0.3 OUTLIER 66.16 20.99 11.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.412 1.07 . . . . 0.0 109.496 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.3 t -78.81 -12.14 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.398 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.525 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -74.67 -58.25 1.78 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.772 1.295 . . . . 0.0 110.484 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.8 Cg_endo -75.09 -13.0 21.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.61 1.847 . . . . 0.0 111.014 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 63' ' ' LEU . 5.9 t -86.09 -40.31 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 O-C-N 124.369 1.043 . . . . 0.0 109.445 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 28' ' ' GLU . 8.8 tp -73.25 -43.52 56.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' N ' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -63.23 -37.21 86.33 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.671 1.232 . . . . 0.0 110.421 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.3 m -81.87 -28.56 32.91 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.32 1.012 . . . . 0.0 110.336 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -77.95 -17.05 57.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.12 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -87.1 -40.52 14.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.683 1.239 . . . . 0.0 110.377 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 pt -64.97 -34.08 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.377 1.048 . . . . 0.0 109.342 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.494 ' OD1' ' CZ ' ' A' ' 60' ' ' ARG . 19.4 t0 -47.58 -26.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.423 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.41 158.85 43.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.223 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 53.35 3.37 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.463 1.77 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.85 61.29 1.4 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 50.23 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.23 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 178.95 51.23 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 124.418 1.073 . . . . 0.0 110.327 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 52' ' ' ALA . 21.1 mt -117.1 144.44 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.661 1.226 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.429 ' N ' HG23 ' A' ' 39' ' ' ILE . 80.9 m -116.91 111.92 20.32 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.568 1.167 . . . . 0.0 110.359 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -92.3 158.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.338 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.36 72.08 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.549 1.156 . . . . 0.0 110.215 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -93.03 111.12 22.64 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 4.8 tpt180 -81.04 -60.19 2.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.428 1.08 . . . . 0.0 110.299 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 160.16 -50.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.375 1.047 . . . . 0.0 110.324 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 47' ' ' TYR . . . -79.28 -22.26 44.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.38 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 18.9 m-85 -144.22 174.54 10.8 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.26 0.975 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.2 t -129.11 128.98 67.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 59.8 ttt-85 -128.14 157.26 41.27 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.407 1.067 . . . . 0.0 110.276 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 43.1 mt -145.97 161.0 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 124.768 1.292 . . . . 0.0 109.181 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.55 122.12 1.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.772 1.295 . . . . 0.0 109.009 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' A' ' 12' ' ' ASN . . . -174.19 -169.53 0.47 Allowed 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 124.375 1.047 . . . . 0.0 109.234 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.98 153.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.416 ' N ' ' HA ' ' A' ' 12' ' ' ASN . . . -103.08 49.01 0.98 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.684 1.24 . . . . 0.0 110.936 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -173.41 85.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.136 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 175.81 8.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -151.87 140.13 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.414 ' C ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -130.09 161.0 32.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 124.413 1.07 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.414 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 31.4 p -150.28 20.06 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.618 1.199 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.494 ' CZ ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -87.73 42.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 110.476 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.06 64.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -73.48 -34.19 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.245 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD21 ' CG1' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -70.54 -46.57 63.34 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.562 1.164 . . . . 0.0 109.548 179.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -37.56 82.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' ARG . 4.9 mt-10 -68.05 -41.07 82.58 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.489 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 mt-30 -63.0 -51.03 68.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 110.144 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.6 mt -41.73 -28.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.351 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.67 65.84 0.3 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 8.1 mtm180 -53.95 -43.43 96.68 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 124.418 0.717 . . . . 0.0 110.186 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 17.8 Cg_endo -75.09 61.82 5.81 Favored 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.672 1.88 . . . . 0.0 110.866 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.03 -160.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 0.0 111.007 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.586 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -144.78 -165.27 2.11 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -14.42 49.01 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.47 1.106 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.45 -33.41 74.77 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.606 1.191 . . . . 0.0 110.293 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.98 -28.69 65.74 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.38 1.05 . . . . 0.0 110.305 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.5 -52.0 65.2 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.67 -11.52 60.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.98 -44.13 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.679 1.237 . . . . 0.0 109.412 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.09 62.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.688 1.243 . . . . 0.0 109.207 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pp -151.85 154.4 36.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.246 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.87 -57.21 2.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.492 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -157.95 -166.05 1.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 110.057 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 82' ' ' SER . 42.1 m-85 -163.59 157.23 19.22 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.416 1.072 . . . . 0.0 111.099 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -110.03 -2.73 16.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.227 0.954 . . . . 0.0 109.4 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.12 -144.76 4.0 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.485 1.116 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -120.65 165.92 14.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.682 0.871 . . . . 0.0 110.335 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -147.61 134.5 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.742 1.276 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -127.2 157.67 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.388 1.055 . . . . 0.0 110.101 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.09 142.17 51.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.397 1.061 . . . . 0.0 109.416 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 93' ' ' GLN . 4.1 t0 -105.31 -177.74 3.45 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.666 1.228 . . . . 0.0 109.299 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.56 -49.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -153.35 61.46 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.365 1.041 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.464 ' CD ' ' CB ' ' A' ' 90' ' ' ASP . 1.2 pt20 -168.7 167.44 11.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.408 1.068 . . . . 0.0 110.097 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.2 tp -138.16 122.81 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.468 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.95 144.72 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.396 1.06 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -115.94 146.95 41.65 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -165.82 162.22 18.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 51.4 t80 -131.74 83.3 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.51 135.46 28.37 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.526 1.141 . . . . 0.0 109.145 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 101' ' ' THR . 1.4 pttt -76.98 -168.51 1.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.588 1.18 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 100' ' ' LYS . 3.1 t -36.12 147.03 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.66 1.225 . . . . 0.0 110.547 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 C--N 1.323 -0.557 0 O-C-N 124.443 1.089 . . . . 0.0 110.846 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -74.97 126.79 31.76 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.86 158.89 24.02 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.26 144.19 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 109.038 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.18 142.33 30.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -142.2 147.75 37.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 176.64 72.45 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.499 1.124 . . . . 0.0 109.383 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -124.33 172.6 8.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.356 1.035 . . . . 0.0 109.406 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.536 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER 66.81 124.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.657 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 58.46 101.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.564 1.165 . . . . 0.0 109.383 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -144.32 -78.57 0.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -158.19 127.14 5.62 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.534 1.146 . . . . 0.0 109.233 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 98' ' ' PHE . 3.5 m -89.69 177.03 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.658 1.224 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' CA ' ' HB2' ' A' ' 84' ' ' ALA . . . -172.41 71.44 0.1 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.302 1.001 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.18 135.5 18.84 Favored 'Trans proline' 0 C--N 1.362 1.258 0 O-C-N 124.362 1.717 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 9.3 mm -124.8 140.9 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 124.386 1.053 . . . . 0.0 109.1 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 11.4 pt -153.71 -171.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.209 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.58 153.31 20.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.43 129.46 38.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.078 . . . . 0.0 109.436 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.29 -87.94 2.02 Favored Glycine 0 CA--C 1.528 0.866 0 O-C-N 124.693 1.246 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -179.95 134.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.507 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 1.3 mt 66.21 19.69 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.394 1.058 . . . . 0.0 109.536 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.4 t -79.11 -9.54 12.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.511 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -79.58 -57.7 0.69 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.294 0.996 . . . . 0.0 110.356 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -75.03 -11.28 21.41 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.244 1.655 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 22.1 t -89.88 -44.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.518 1.136 . . . . 0.0 109.488 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 5.0 tp -68.36 -32.35 55.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -41.67 62.97 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.424 1.077 . . . . 0.0 110.202 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 m -77.57 -24.39 49.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.625 1.203 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.51 -32.29 36.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.455 1.097 . . . . 0.0 109.397 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 27' ' ' ILE . 13.0 mm-40 -70.2 -44.69 68.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.337 1.023 . . . . 0.0 110.229 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 33' ' ' ASP . 21.6 pt -61.22 -40.91 87.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.408 1.067 . . . . 0.0 109.38 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 32' ' ' ILE . 7.8 t70 -52.11 -27.63 14.79 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.417 1.073 . . . . 0.0 109.465 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -112.06 156.84 41.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 47.99 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.405 1.739 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.51 59.96 1.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.59 43.04 1.08 Allowed 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 124.607 0.828 . . . . 0.0 109.393 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.27 38.83 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.584 1.178 . . . . 0.0 110.156 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 HD13 ' CD1' ' A' ' 56' ' ' LEU . 11.6 mm -94.23 150.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.434 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -112.42 112.11 23.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.398 1.061 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.9 t -112.46 146.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -130.9 68.67 1.48 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -82.96 105.09 13.68 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 20.6 tpt180 -80.24 -58.19 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.136 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 162.33 -48.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.32 -31.07 25.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.396 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -126.03 171.65 10.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.1 t -131.51 105.3 10.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 124.526 1.141 . . . . 0.0 109.233 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -97.97 149.89 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.675 1.235 . . . . 0.0 110.271 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.6 mt -145.24 162.2 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 O-C-N 124.408 1.067 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -157.92 154.78 28.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.62 1.2 . . . . 0.0 109.387 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 13' ' ' VAL . . . -145.42 151.25 37.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.18 50.47 1.86 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.536 1.148 . . . . 0.0 110.195 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.78 -83.36 0.2 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.618 1.199 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -161.02 177.5 10.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.708 0.887 . . . . 0.0 110.22 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 39' ' ' ILE . 87.6 mt -151.26 -175.09 5.03 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.362 1.039 . . . . 0.0 109.255 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.5 tp -149.54 127.45 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.263 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.19 138.65 54.11 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.618 1.199 . . . . 0.0 109.431 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.3 p -133.74 8.16 3.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.61 40.2 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.199 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -23.58 44.63 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.566 1.166 . . . . 0.0 109.389 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 63' ' ' LEU . 2.3 t -72.64 -41.63 65.29 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 124.243 0.964 . . . . 0.0 110.403 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.424 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -66.72 -33.02 74.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.352 1.032 . . . . 0.0 109.426 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.76 -20.78 30.51 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.566 1.166 . . . . 0.0 110.261 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.64 -33.12 23.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.466 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.2 mt-30 -76.76 -45.33 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.608 1.192 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.7 mt -44.53 -26.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -154.77 64.99 0.33 Allowed Glycine 0 CA--C 1.533 1.159 0 O-C-N 124.438 1.086 . . . . 0.0 110.926 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.637 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 28.6 mtm105 -55.61 -42.85 98.16 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.558 0.799 . . . . 0.0 110.2 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.95 62.42 5.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.701 1.895 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.14 -159.15 0.74 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 110.956 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.55 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.23 -160.5 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 109.185 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.7 ptp -75.15 -20.48 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.35 1.031 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.97 -58.5 7.9 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.594 1.184 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.46 -33.28 20.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.34 1.025 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.09 -52.26 66.28 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.582 1.176 . . . . 0.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -80.52 -28.08 37.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.691 1.245 . . . . 0.0 110.365 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 79' ' ' ASN . 0.5 OUTLIER -70.34 -64.14 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.665 1.228 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.458 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 97.1 m-20 -72.61 85.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -160.34 170.05 21.86 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.635 1.209 . . . . 0.0 109.321 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.96 -71.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.441 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -151.98 -162.92 1.62 Allowed 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 124.563 1.164 . . . . 0.0 109.996 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 82' ' ' SER . 40.4 m-85 -166.54 167.88 15.15 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.454 ' HB2' ' CA ' ' A' ' 14' ' ' GLY . . . -116.61 -38.83 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.23 -155.05 10.41 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.58 1.175 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -108.92 165.31 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 110.174 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.502 ' CG2' ' CE1' ' A' ' 96' ' ' PHE . 5.8 pt -136.96 147.3 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 O-C-N 124.517 1.136 . . . . 0.0 109.144 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -142.27 152.54 43.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.49 132.51 51.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 109.246 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.485 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 17.3 t0 -101.41 -176.74 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.635 1.209 . . . . 0.0 109.225 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -33.93 -46.16 0.22 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.502 1.127 . . . . 0.0 110.198 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.05 60.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.394 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.485 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 2.2 pt20 -166.77 170.07 12.75 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 tt -143.35 104.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.377 1.048 . . . . 0.0 109.253 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 140.48 30.02 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.502 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 2.5 m-30 -117.61 147.39 42.9 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.651 1.219 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 8.6 p90 -171.04 151.46 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.37 1.044 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.467 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 56.5 t80 -112.91 92.58 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.64 1.213 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.11 128.15 45.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.319 1.012 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -60.73 -67.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.391 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.7 t -86.8 121.23 29.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.742 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.8 m -129.18 115.03 17.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.306 1.004 . . . . 0.0 110.478 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -173.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.268 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.25 169.3 17.1 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -73.41 176.08 6.37 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.197 0.936 . . . . 0.0 109.178 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -175.92 169.28 2.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 49.97 92.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.308 1.005 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.34 -78.18 0.11 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.9 t60 66.06 174.69 0.23 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.421 1.075 . . . . 0.0 109.581 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -78.86 -169.59 1.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.631 1.207 . . . . 0.0 109.363 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -157.06 -87.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.45 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -147.63 130.76 16.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 109.409 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.463 HG11 ' CB ' ' A' ' 98' ' ' PHE . 28.0 m -90.22 -177.58 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 O-C-N 124.339 1.024 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.418 ' CA ' ' HB1' ' A' ' 84' ' ' ALA . . . -177.06 92.01 0.09 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.44 1.087 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 18.0 Cg_endo -75.21 127.37 10.49 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.544 1.813 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -111.27 89.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 124.463 1.102 . . . . 0.0 109.228 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.5 pt -115.58 -175.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 109.226 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.88 -167.27 1.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 46' ' ' ALA . . . -120.34 97.52 5.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.12 -86.91 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.072 . . . . 0.0 111.05 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -179.88 137.01 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.819 0.952 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.515 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 0.4 OUTLIER 66.52 18.39 10.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.333 1.021 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.401 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 1.3 t -78.68 -10.56 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.594 1.184 . . . . 0.0 109.389 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.521 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -76.9 -58.55 1.04 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 110.476 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.5 Cg_endo -74.87 -11.93 21.76 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.275 1.671 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 17.7 t -88.64 -41.46 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.454 ' CD1' HD13 ' A' ' 50' ' ' ILE . 1.9 tp -72.98 -36.54 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.478 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.0 -33.98 66.13 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.405 ' O ' HG12 ' A' ' 32' ' ' ILE . 95.0 m -83.07 -28.09 29.8 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 124.389 1.055 . . . . 0.0 110.301 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.94 -18.39 56.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.643 1.214 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -84.67 -41.65 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 29' ' ' THR . 9.8 pt -62.65 -35.68 71.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.309 1.006 . . . . 0.0 109.123 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 32' ' ' ILE . 6.7 t70 -48.74 -26.4 2.32 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.627 1.204 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -117.47 170.19 6.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.87 54.2 3.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.352 1.711 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.36 62.68 1.44 Allowed Glycine 0 CA--C 1.527 0.786 0 O-C-N 124.452 1.095 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 44.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 0.716 . . . . 0.0 109.4 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.39 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.45 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 31.6 mm -83.46 149.11 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.2 m -127.5 111.42 13.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.407 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.3 t -101.84 158.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.33 84.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.3 111.21 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 24.0 tpt180 -81.38 -58.75 2.9 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.414 1.071 . . . . 0.0 110.191 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER 158.57 -58.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.428 1.08 . . . . 0.0 110.192 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -89.83 -38.06 14.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.401 ' HA ' ' N ' ' A' ' 19' ' ' ALA . 6.7 m-85 -115.6 173.97 6.26 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.36 1.037 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.0 t -124.98 131.73 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.354 1.034 . . . . 0.0 109.179 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -124.67 131.38 53.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.43 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 27' ' ' ILE . 2.0 mt -125.91 161.87 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.632 1.208 . . . . 0.0 109.373 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.93 144.1 8.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.397 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' CB ' ' CD1' ' A' ' 39' ' ' ILE . . . 179.8 -171.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.362 1.039 . . . . 0.0 109.446 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.431 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 2.4 mt-10 -41.71 162.33 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.35 33.84 6.25 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.313 1.008 . . . . 0.0 111.079 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -163.44 75.0 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.512 0.771 . . . . 0.0 110.159 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.431 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 2.4 mm? -116.47 177.37 4.72 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.619 1.2 . . . . 0.0 109.238 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -154.41 117.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 109.43 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.64 156.02 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 109.426 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.6 p -147.17 17.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.338 1.024 . . . . 0.0 110.488 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.62 36.43 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.289 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -23.98 63.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.403 1.065 . . . . 0.0 109.406 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -73.1 -41.92 63.53 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.681 1.238 . . . . 0.0 110.471 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -44.28 96.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.217 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -39.54 77.79 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.415 1.072 . . . . 0.0 110.449 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -39.0 91.89 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.467 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -66.28 -47.73 72.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt -42.79 -27.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.05 65.3 0.31 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.574 1.172 . . . . 0.0 111.108 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.637 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 44.5 mtp180 -54.05 -43.55 97.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.2 Cg_endo -75.09 62.24 5.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.387 1.73 . . . . 0.0 110.774 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -159.06 -159.95 0.81 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.467 1.104 . . . . 0.0 111.228 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.59 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -142.19 -165.88 2.12 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.294 0.996 . . . . 0.0 109.332 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.1 ttt -82.09 -29.83 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -45.58 -48.17 14.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -48.9 -36.78 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.668 1.23 . . . . 0.0 110.215 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.39 -50.29 72.13 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.389 1.055 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 14.7 tt0 -78.75 -9.72 59.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -90.66 -59.53 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.386 1.054 . . . . 0.0 109.365 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -70.15 65.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.411 1.069 . . . . 0.0 109.218 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.54 163.46 35.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.392 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.05 -66.64 0.74 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.407 1.067 . . . . 0.0 109.369 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -141.58 -169.08 2.8 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.475 1.109 . . . . 0.0 109.937 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 82' ' ' SER . 8.3 m-85 -165.7 133.22 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HB1' ' CA ' ' A' ' 14' ' ' GLY . . . -96.75 29.05 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.409 1.068 . . . . 0.0 109.274 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.59 -174.63 45.75 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.369 1.043 . . . . 0.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -103.97 139.25 39.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.812 0.948 . . . . 0.0 110.197 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.57 HG21 ' CE2' ' A' ' 96' ' ' PHE . 1.7 pp -121.06 134.54 64.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.499 1.124 . . . . 0.0 109.105 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -126.4 144.35 50.86 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.68 1.238 . . . . 0.0 110.256 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.78 142.66 46.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -119.33 -175.06 2.86 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.174 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 90' ' ' ASP . 3.2 pt-20 -29.59 -59.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -148.39 61.41 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.315 1.01 . . . . 0.0 109.437 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.475 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 13.7 pt20 -171.35 171.59 5.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.298 0.999 . . . . 0.0 110.307 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.1 tt -147.22 110.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.624 1.203 . . . . 0.0 109.249 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.45 139.43 31.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.429 1.081 . . . . 0.0 110.286 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CE2' HG21 ' A' ' 87' ' ' ILE . 4.5 m-85 -110.4 145.03 38.28 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.41 1.069 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 9.4 p90 -170.62 142.39 2.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 0.0 111.119 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 15.1 t80 -113.34 82.04 1.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.25 130.05 35.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.424 1.078 . . . . 0.0 109.413 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -57.34 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.697 1.248 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -78.52 163.1 25.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.607 1.192 . . . . 0.0 110.468 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.596 1.185 . . . . 0.0 110.771 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 t -116.71 -34.47 4.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.407 1.067 . . . . 0.0 110.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -159.89 157.57 29.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.207 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.96 78.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.292 0.995 . . . . 0.0 109.366 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -159.24 125.86 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.04 62.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.536 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.75 81.19 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.672 1.232 . . . . 0.0 109.254 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.62 -89.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.387 1.055 . . . . 0.0 109.254 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 100' ' ' LYS . 92.2 m-70 -104.61 111.81 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.657 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.516 ' ND2' ' CZ ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -179.5 38.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.387 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -126.79 -48.2 1.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.9 p30 179.95 142.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.071 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 m -98.71 170.62 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 124.398 1.061 . . . . 0.0 109.285 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.4 87.62 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.89 113.47 3.8 Favored 'Trans proline' 0 C--N 1.358 1.051 0 O-C-N 124.689 1.889 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.458 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 8.9 mm -108.01 132.37 55.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.466 1.104 . . . . 0.0 109.21 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.0 pt -145.75 -171.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.407 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.92 165.59 11.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -94.09 127.06 39.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.667 1.23 . . . . 0.0 109.4 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.72 -80.28 1.41 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.559 1.162 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 179.62 -37.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.205 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 4.1 mm? -116.74 15.5 15.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.589 1.181 . . . . 0.0 109.274 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 2.1 t -77.84 -10.04 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.146 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.555 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -76.91 -59.35 0.94 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.252 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -75.0 -10.32 21.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.062 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 17.6 t -90.45 -46.2 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.225 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 6.5 tp -66.99 -33.49 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.15 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -42.86 65.39 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.593 1.183 . . . . 0.0 110.371 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.9 m -74.89 -26.29 59.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.11 -20.51 52.04 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.286 0.991 . . . . 0.0 109.374 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -83.08 -39.55 21.02 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.699 1.249 . . . . 0.0 110.438 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 pt -68.87 -36.22 73.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.725 1.266 . . . . 0.0 109.471 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -25.12 51.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.728 1.268 . . . . 0.0 109.2 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.19 147.34 36.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.686 1.241 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 54.8 3.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.412 1.743 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.88 60.31 1.7 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.151 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 50.65 1.55 Allowed 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.677 0.869 . . . . 0.0 109.354 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 179.22 47.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.589 1.18 . . . . 0.0 110.438 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -137.1 148.96 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 O-C-N 124.582 1.176 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 t -113.19 166.79 11.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 110.556 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.9 t -149.74 134.72 10.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 124.433 1.083 . . . . 0.0 109.402 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -113.78 74.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.404 1.065 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.36 102.6 13.54 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.611 1.194 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 6.3 tpm_? -83.85 -59.77 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 4.5 mtt180 158.99 -51.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.61 -35.66 45.31 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.673 1.233 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.406 ' HA ' ' N ' ' A' ' 19' ' ' ALA . 58.0 m-85 -129.58 169.8 14.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.63 119.81 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.408 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 22.4 ttt180 -117.09 149.45 40.3 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.334 1.021 . . . . 0.0 110.29 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.9 mt -143.68 160.58 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.369 1.043 . . . . 0.0 109.439 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.24 128.23 17.5 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.726 1.266 . . . . 0.0 109.168 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.41 116.3 18.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.276 0.985 . . . . 0.0 109.242 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.42 55.12 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.447 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.77 -96.03 0.12 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.627 1.204 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -166.11 173.21 10.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.676 0.868 . . . . 0.0 110.297 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.4 mt -152.25 -179.57 7.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.669 1.23 . . . . 0.0 109.197 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -156.44 107.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.86 135.9 45.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.088 . . . . 0.0 109.146 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.1 p -135.21 15.18 3.5 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.408 1.067 . . . . 0.0 110.496 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.08 44.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.594 1.184 . . . . 0.0 110.261 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -23.58 62.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.063 . . . . 0.0 109.379 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -48.22 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.612 1.195 . . . . 0.0 110.423 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.3 -47.21 87.0 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.536 1.148 . . . . 0.0 109.5 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -35.66 81.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.399 1.062 . . . . 0.0 110.322 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.51 -39.73 77.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 0.0 110.474 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.3 mt-30 -65.6 -47.95 73.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.073 . . . . 0.0 110.148 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 71.3 mt -41.2 -29.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.606 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.33 65.86 0.3 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.305 1.003 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.632 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 3.7 mtm105 -53.6 -43.49 95.99 Favored Pre-proline 0 C--N 1.321 -0.652 0 O-C-N 124.486 0.757 . . . . 0.0 110.165 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.86 63.12 5.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.369 1.72 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.62 -164.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.726 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.502 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -144.57 -165.92 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.181 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.3 ptt? -79.97 -10.3 59.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.657 1.223 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -37.18 86.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.16 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.5 mt-10 -67.88 -28.48 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 110.145 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.01 -54.07 46.75 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.715 1.259 . . . . 0.0 109.321 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.494 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 5.0 tt0 -70.5 -13.96 62.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.398 1.061 . . . . 0.0 110.147 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.55 -32.33 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 O-C-N 124.331 1.019 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' GLU . 65.6 m-20 -86.09 68.56 10.33 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.308 1.005 . . . . 0.0 109.445 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -141.69 164.06 31.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.44 -52.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.707 1.255 . . . . 0.0 109.195 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.537 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -165.67 177.59 7.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.309 1.006 . . . . 0.0 110.131 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 82' ' ' SER . 71.3 m-85 -165.45 144.0 6.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 9' ' ' HIS . . . -94.94 -64.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.33 -135.35 2.16 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.364 1.04 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -135.45 166.3 23.48 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.405 0.709 . . . . 0.0 110.414 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.572 HG21 ' CD2' ' A' ' 96' ' ' PHE . 7.7 pt -122.89 170.94 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.408 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -155.87 114.33 3.43 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.593 1.183 . . . . 0.0 110.4 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.27 140.9 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 91' ' ' GLU . 14.5 t0 -110.63 -175.31 2.69 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.492 1.12 . . . . 0.0 109.379 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.5 pt-20 -31.91 -56.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.766 1.291 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -150.76 54.24 0.89 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.395 1.059 . . . . 0.0 109.225 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.474 ' CD ' ' CB ' ' A' ' 90' ' ' ASP . 1.4 pt20 -154.5 -168.66 2.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.617 1.198 . . . . 0.0 110.324 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.406 ' N ' ' CG ' ' A' ' 93' ' ' GLN . 2.5 tt -162.78 119.61 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 O-C-N 124.586 1.179 . . . . 0.0 109.208 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.58 151.67 40.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.287 0.992 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.572 ' CD2' HG21 ' A' ' 87' ' ' ILE . 19.0 m-85 -123.27 153.78 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.696 1.248 . . . . 0.0 111.059 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 2.9 p90 -151.82 165.6 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.516 ' CZ ' ' ND2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -115.07 -23.81 8.86 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.642 1.214 . . . . 0.0 111.075 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.491 ' OD2' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -76.72 111.28 12.06 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.642 1.213 . . . . 0.0 109.394 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -54.48 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.741 1.276 . . . . 0.0 109.367 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 100' ' ' LYS . 2.4 t -36.66 154.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.466 1.104 . . . . 0.0 110.464 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.8 ptm . . . . . 0 C--N 1.32 -0.688 0 O-C-N 124.557 1.161 . . . . 0.0 110.934 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p -57.71 158.76 5.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.355 1.034 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.42 125.79 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.36 -169.76 2.69 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.574 1.172 . . . . 0.0 109.5 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -170.63 175.93 4.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.384 1.052 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.29 151.75 25.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.689 1.243 . . . . 0.0 110.065 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.48 39.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.29 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -95.04 -176.59 3.88 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 124.55 1.157 . . . . 0.0 109.44 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.5 m80 62.04 174.37 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.382 1.051 . . . . 0.0 109.595 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -72.47 170.71 13.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -178.73 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.393 1.058 . . . . 0.0 109.234 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -147.37 139.81 24.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.441 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.41 ' CG2' ' HA2' ' A' ' 54' ' ' GLY . 0.4 OUTLIER -123.27 178.74 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.322 1.014 . . . . 0.0 109.271 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.61 84.36 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 18.8 Cg_endo -74.66 125.05 9.24 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.439 1.757 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 4.7 mm -113.32 123.3 68.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -138.68 171.76 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -67.29 170.41 7.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.708 1.255 . . . . 0.0 110.388 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB3' ' CA ' ' A' ' 47' ' ' TYR . . . -107.73 156.83 18.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.49 -90.07 0.86 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 111.052 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 179.64 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.48 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 8.3 mp -111.29 20.63 17.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.356 1.035 . . . . 0.0 109.354 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.7 t -78.29 -9.58 12.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.746 1.278 . . . . 0.0 109.219 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.523 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -77.61 -58.45 0.92 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.693 1.246 . . . . 0.0 110.45 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -74.85 -11.62 21.78 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.372 1.722 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 63' ' ' LEU . 8.6 t -89.59 -45.86 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.142 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 6.0 tp -66.33 -35.09 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.691 1.245 . . . . 0.0 109.472 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -47.26 68.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.32 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 m -71.81 -28.41 63.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.14 . . . . 0.0 110.477 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.99 -16.56 58.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.254 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -85.55 -37.6 19.44 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.56 1.162 . . . . 0.0 110.342 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 pt -69.36 -30.38 45.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.633 1.208 . . . . 0.0 109.357 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.78 -27.14 63.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.2 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.01 159.42 32.28 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.231 0.957 . . . . 0.0 109.243 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -0.05 9.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.322 1.696 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.68 52.52 4.17 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.44 1.087 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 56.39 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.611 0.83 . . . . 0.0 109.198 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -179.95 50.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.68 1.238 . . . . 0.0 110.316 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.528 ' CG1' ' CB ' ' A' ' 52' ' ' ALA . 1.8 mt -114.58 150.63 16.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.529 1.143 . . . . 0.0 109.44 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.3 m -112.41 113.06 25.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.529 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.05 152.62 3.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.64 80.0 1.85 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.195 0.934 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.31 105.32 6.27 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.38 1.05 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.1 tpt180 -81.64 -69.51 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 164.24 -47.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.38 1.05 . . . . 0.0 110.303 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.557 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . . . -83.25 -40.84 19.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.18 . . . . 0.0 109.353 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 19.8 m-85 -134.18 166.81 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 95.1 t -110.38 123.53 66.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 124.629 1.206 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 29.7 ttm180 -115.55 155.05 28.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.18 . . . . 0.0 110.389 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.432 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 2.4 mt -144.62 166.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.596 1.185 . . . . 0.0 109.209 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.24 131.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.632 1.208 . . . . 0.0 109.158 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 39' ' ' ILE . . . -178.84 -164.31 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.427 1.08 . . . . 0.0 109.126 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 155.02 1.86 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . -93.67 58.39 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.647 1.217 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.55 92.09 0.06 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.71 0.888 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.408 ' C ' ' CG2' ' A' ' 57' ' ' ILE . 3.2 mt -137.36 176.59 8.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.337 1.023 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.408 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 1.1 pp -151.3 143.77 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.617 1.198 . . . . 0.0 109.268 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 136.51 47.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.607 1.192 . . . . 0.0 109.389 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.2 p -140.25 19.8 2.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.325 1.016 . . . . 0.0 110.374 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 34.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.505 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -51.91 -23.53 5.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 63' ' ' LEU . 7.1 t -67.79 -49.8 60.41 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.361 1.038 . . . . 0.0 110.471 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD11 ' CG1' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -74.08 -38.14 64.0 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.342 1.026 . . . . 0.0 109.406 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.94 -32.08 73.09 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.4 mm-40 -71.54 -44.24 64.96 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.684 1.24 . . . . 0.0 110.229 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.476 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.1 mm-40 -64.2 -49.17 73.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.621 1.201 . . . . 0.0 110.346 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 mt -42.81 -28.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.171 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.622 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -159.49 64.63 0.29 Allowed Glycine 0 CA--C 1.533 1.201 0 O-C-N 124.622 1.201 . . . . 0.0 111.074 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.621 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 15.4 mtm180 -51.77 -44.18 90.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 110.335 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.89 56.33 4.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.656 1.872 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.78 -159.92 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.6 1.187 . . . . 0.0 110.919 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.625 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -152.67 153.09 32.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.102 . . . . 0.0 109.145 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -33.3 56.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.89 -44.04 86.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.216 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -65.66 -23.62 66.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.454 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.547 HD11 ' CD2' ' A' ' 71' ' ' PHE . 1.6 mp -62.76 -54.65 35.81 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.405 1.066 . . . . 0.0 109.309 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.37 -11.88 36.99 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.572 1.17 . . . . 0.0 110.439 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -91.75 -71.5 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.411 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.511 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 5.4 m-20 -86.69 74.45 9.83 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.452 1.095 . . . . 0.0 109.386 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -124.17 142.29 51.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.597 1.186 . . . . 0.0 109.509 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . -39.7 -71.03 0.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.411 1.069 . . . . 0.0 109.375 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.95 -166.06 0.28 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -153.74 -174.93 5.14 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.613 1.196 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.57 24.98 0.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.95 -138.41 2.94 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.396 1.06 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.551 ' HB3' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -116.63 153.07 32.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.38 0.694 . . . . 0.0 110.147 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.4 138.21 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -127.93 153.68 46.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.319 1.012 . . . . 0.0 110.378 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.74 139.97 49.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.171 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 91' ' ' GLU . 5.4 t0 -112.35 -179.53 3.7 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.152 . . . . 0.0 109.243 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -32.51 -46.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.26 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -155.94 66.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 0.0 109.264 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.5 pt20 -176.66 166.99 2.66 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -150.74 127.65 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.702 1.251 . . . . 0.0 109.257 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.64 159.5 27.75 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 39.5 m-85 -121.35 143.0 49.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 86' ' ' GLN . 5.0 p90 -158.56 143.32 16.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 4.2 t80 -110.88 46.86 1.03 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.48 148.56 40.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.415 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 -80.09 0.58 Allowed 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.518 1.136 . . . . 0.0 109.588 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 101' ' ' THR . 14.8 t -68.24 104.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.532 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.612 0 O-C-N 124.377 1.048 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 t -165.56 57.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.184 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.94 151.01 35.11 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.43 1.081 . . . . 0.0 109.239 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.09 110.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -164.92 90.08 0.51 Allowed 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.44 1.088 . . . . 0.0 109.432 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -178.63 132.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.354 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 6' ' ' GLN . . . 77.68 106.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.727 1.267 . . . . 0.0 109.364 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.33 -89.94 0.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 9.6 t-80 179.49 -67.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.406 1.066 . . . . 0.0 109.508 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 11' ' ' ASN . 7.1 t30 -163.42 161.58 24.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 10' ' ' ASN . 19.7 m-80 -163.87 -88.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.192 0.932 . . . . 0.0 109.235 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -155.66 150.68 26.57 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.459 1.099 . . . . 0.0 109.139 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 98' ' ' PHE . 14.4 m -97.16 179.89 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.199 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.47 93.57 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.17 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.83 105.57 2.1 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.464 ' HB ' ' CB ' ' A' ' 82' ' ' SER . 23.1 mm -96.07 124.2 48.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 109.385 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 pt -148.8 -172.41 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -102.08 172.64 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.665 1.228 . . . . 0.0 110.197 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.82 98.75 9.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.624 1.202 . . . . 0.0 109.315 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.59 -90.27 0.45 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.344 1.028 . . . . 0.0 111.178 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.96 131.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.308 0.651 . . . . 0.0 109.267 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 1.3 mp 66.81 22.62 10.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.485 1.116 . . . . 0.0 109.375 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 t -77.94 -9.84 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 O-C-N 124.316 1.01 . . . . 0.0 109.265 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.535 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -78.38 -58.66 0.78 Allowed Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.44 1.088 . . . . 0.0 110.098 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.7 Cg_endo -75.04 -11.39 21.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.411 1.742 . . . . 0.0 110.86 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 13.9 t -88.02 -42.84 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.13 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.458 HD11 ' CD1' ' A' ' 50' ' ' ILE . 9.3 tp -69.38 -42.86 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 109.232 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -42.54 98.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.394 1.059 . . . . 0.0 110.41 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.5 m -74.6 -30.46 61.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.683 1.239 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.74 -14.99 60.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -88.39 -43.36 11.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.359 1.037 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 pt -63.63 -28.4 44.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.497 1.123 . . . . 0.0 109.213 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -57.26 -44.22 83.72 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.669 1.231 . . . . 0.0 109.186 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -105.32 165.81 12.5 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.386 1.054 . . . . 0.0 109.318 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.83 52.8 3.08 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.68 60.72 1.47 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.595 1.185 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 47.9 1.37 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.526 0.78 . . . . 0.0 109.257 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 179.2 38.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.365 1.041 . . . . 0.0 110.268 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.7 mm -84.88 151.29 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.367 1.042 . . . . 0.0 109.458 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.8 m -123.57 111.86 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.349 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -109.83 146.13 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 O-C-N 124.303 1.002 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -140.47 82.73 1.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.684 1.24 . . . . 0.0 110.237 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.09 106.52 16.62 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.395 1.059 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 30.5 tpt180 -80.28 -61.28 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.172 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 161.82 -47.43 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.507 1.13 . . . . 0.0 110.476 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.53 -53.39 6.91 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.481 1.113 . . . . 0.0 109.401 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -121.52 171.26 8.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.71 123.44 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -118.82 111.95 19.08 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.385 1.053 . . . . 0.0 110.227 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.458 ' CD1' HD11 ' A' ' 27' ' ' ILE . 4.7 mt -113.18 165.39 8.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.577 1.173 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.88 123.37 11.05 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.459 1.099 . . . . 0.0 109.421 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.473 ' CB ' HD23 ' A' ' 56' ' ' LEU . . . -116.51 161.2 19.5 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.555 1.16 . . . . 0.0 109.157 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.21 -165.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.1 -82.92 0.04 OUTLIER Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.358 1.036 . . . . 0.0 110.948 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -110.32 145.48 37.39 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.471 0.748 . . . . 0.0 110.348 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -144.87 172.81 12.51 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.541 1.15 . . . . 0.0 109.384 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -150.87 128.55 2.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.63 1.206 . . . . 0.0 109.282 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.66 156.57 32.74 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.491 1.12 . . . . 0.0 109.194 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.7 p -145.2 19.11 1.57 Allowed 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.412 1.07 . . . . 0.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.44 44.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.773 1.296 . . . . 0.0 110.362 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -64.71 -13.74 55.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.7 t -80.44 -41.51 24.35 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.499 1.124 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -66.65 -45.06 80.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.393 1.058 . . . . 0.0 109.185 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 3.4 mt-10 -66.18 -40.14 90.25 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.398 1.061 . . . . 0.0 110.124 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.1 mt-10 -64.71 -42.36 95.34 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.443 1.089 . . . . 0.0 110.23 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.457 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -61.13 -52.0 66.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.209 -179.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.7 mt -40.62 -29.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.397 1.061 . . . . 0.0 109.241 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.638 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.11 64.99 0.31 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.361 1.038 . . . . 0.0 110.972 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 29.2 mtm180 -52.0 -43.79 90.31 Favored Pre-proline 0 C--N 1.322 -0.612 0 O-C-N 124.748 0.911 . . . . 0.0 110.272 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.22 55.43 4.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.483 1.781 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.73 -168.4 2.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.763 1.29 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.619 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -150.7 167.28 27.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -28.72 47.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.327 1.017 . . . . 0.0 111.0 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -49.67 -40.38 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.379 1.05 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ILE . 2.5 mm-40 -60.75 -47.0 88.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.6 mt -44.39 -45.05 8.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.637 1.21 . . . . 0.0 109.293 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 15.9 tt0 -54.9 -37.12 65.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.714 1.259 . . . . 0.0 110.116 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.498 ' C ' ' CD1' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -85.4 -41.6 15.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.631 1.207 . . . . 0.0 109.193 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' N ' HG13 ' A' ' 78' ' ' ILE . 6.1 m-80 -77.66 69.16 3.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.198 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -154.65 178.4 10.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.424 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.47 -66.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.185 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.506 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -146.57 -176.23 5.1 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.398 1.061 . . . . 0.0 110.199 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.522 ' CE1' HD13 ' A' ' 87' ' ' ILE . 32.7 m-85 -160.82 120.48 2.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.87 46.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 124.374 1.046 . . . . 0.0 109.27 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 160.58 -170.16 36.47 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.488 1.117 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 11.5 mp0 -109.99 126.7 54.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.697 ' CG2' ' CD2' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -125.46 130.81 72.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.346 1.029 . . . . 0.0 109.192 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.19 162.31 27.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.3 1.0 . . . . 0.0 110.378 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.88 146.75 44.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.239 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.514 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.6 t0 -104.79 -171.96 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.4 pt-20 -29.36 -53.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.363 1.039 . . . . 0.0 110.368 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' O ' ' CD ' ' A' ' 61' ' ' LYS . 8.2 p-10 -154.12 65.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.381 1.051 . . . . 0.0 109.221 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.5 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -169.44 167.3 10.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.789 1.306 . . . . 0.0 110.195 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.79 120.04 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.91 162.26 18.43 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.577 1.173 . . . . 0.0 110.104 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.697 ' CD2' ' CG2' ' A' ' 87' ' ' ILE . 6.4 m-85 -130.95 159.54 37.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 29.5 p90 -178.32 138.05 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.682 1.239 . . . . 0.0 111.184 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CZ ' ' HE2' ' A' ' 100' ' ' LYS . 49.7 t80 -116.71 93.02 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.323 1.014 . . . . 0.0 111.208 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 0.6 OUTLIER -133.81 152.38 51.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.514 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.558 ' HE2' ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -95.19 -87.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.406 1.066 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.2 t -76.17 129.75 37.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 O-C-N 124.265 0.978 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -61.83 136.82 58.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.437 1.086 . . . . 0.0 110.66 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.48 -178.56 6.73 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 124.518 1.136 . . . . 0.0 109.464 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.86 -178.83 3.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.464 1.102 . . . . 0.0 109.37 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.26 174.63 5.89 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 124.381 1.051 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -154.46 179.62 8.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.355 1.034 . . . . 0.0 110.281 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.54 76.79 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.196 . . . . 0.0 109.34 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mp -142.15 -165.56 2.04 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.683 1.239 . . . . 0.0 109.195 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' ASN . 42.4 m170 65.11 164.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.403 1.064 . . . . 0.0 109.688 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -53.15 91.16 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 124.348 1.03 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.518 ' N ' ' CD2' ' A' ' 98' ' ' PHE . 2.7 m-20 -127.55 -80.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.591 1.182 . . . . 0.0 109.38 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -159.21 157.7 31.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.617 1.198 . . . . 0.0 109.171 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.483 ' CG2' ' HA2' ' A' ' 54' ' ' GLY . 0.4 OUTLIER -115.18 138.75 44.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.779 1.299 . . . . 0.0 109.296 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 86.97 0.2 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 18.3 Cg_endo -75.21 140.28 24.72 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.521 1.8 . . . . 0.0 110.96 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 15' ' ' PRO . 5.3 mm -130.73 130.61 64.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.429 1.081 . . . . 0.0 109.4 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 12.3 pt -160.07 156.74 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' CD ' ' HB3' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -53.78 177.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.376 1.047 . . . . 0.0 110.18 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' CB ' ' CG2' ' A' ' 48' ' ' VAL . . . -148.39 154.62 40.17 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.38 1.05 . . . . 0.0 109.214 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.25 58.48 0.26 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.457 1.098 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -170.87 39.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.38 0.694 . . . . 0.0 109.224 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.49 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 1.4 mp 64.6 23.61 12.86 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.403 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 1.4 t -78.26 -10.58 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.387 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.531 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.4 mt-10 -75.55 -58.33 1.44 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.523 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.531 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.2 Cg_endo -75.29 -12.28 20.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 63' ' ' LEU . 3.9 t -87.45 -46.69 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 23' ' ' VAL . 5.2 tp -64.92 -37.53 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.404 1.065 . . . . 0.0 109.454 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -38.53 79.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.654 1.221 . . . . 0.0 110.241 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.9 m -74.89 -29.28 60.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.187 . . . . 0.0 110.484 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.31 -22.75 61.14 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.471 1.107 . . . . 0.0 109.398 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -80.44 -48.43 12.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.215 0.947 . . . . 0.0 110.255 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 pt -60.09 -30.6 46.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 124.586 1.179 . . . . 0.0 109.464 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.444 ' CB ' ' NH2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -65.33 -44.2 88.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.616 1.197 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.71 164.7 28.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.252 0.97 . . . . 0.0 109.353 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 53.5 3.37 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 39' ' ' ILE . . . -95.35 56.3 1.73 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.125 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 40.93 1.04 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.41 0.712 . . . . 0.0 109.482 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 179.77 54.26 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.238 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.474 HG12 ' CB ' ' A' ' 52' ' ' ALA . 1.7 mp -131.95 156.55 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.7 m -117.92 112.89 20.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.699 1.25 . . . . 0.0 110.392 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.8 t -95.69 144.44 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 49' ' ' ARG . 4.1 mm-40 -132.14 76.85 1.72 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -97.21 101.18 12.68 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.701 1.251 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.5 tpt180 -80.41 -56.94 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.415 1.072 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 161.12 -49.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.544 ' HB1' ' CD2' ' A' ' 47' ' ' TYR . . . -70.78 -50.81 31.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.276 0.985 . . . . 0.0 109.227 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.544 ' CD2' ' HB1' ' A' ' 46' ' ' ALA . 18.8 m-85 -124.86 167.16 15.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.432 1.082 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.431 ' CG2' ' CB ' ' A' ' 19' ' ' ALA . 70.8 t -125.69 120.16 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.668 1.23 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.461 ' CD ' ' HB3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -127.31 150.74 49.45 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.343 1.027 . . . . 0.0 110.383 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 mt -134.14 170.63 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.334 1.022 . . . . 0.0 109.273 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -149.29 88.05 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.469 1.106 . . . . 0.0 109.231 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.474 ' CB ' HG12 ' A' ' 39' ' ' ILE . . . -97.15 -172.56 2.46 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.521 1.138 . . . . 0.0 109.471 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -78.64 -45.37 21.65 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.549 ' HA3' ' CG ' ' A' ' 98' ' ' PHE . . . 151.24 -38.86 0.82 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.389 1.056 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -86.5 101.46 13.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 0.718 . . . . 0.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mt -137.02 160.36 39.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.332 1.02 . . . . 0.0 109.229 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -155.56 129.83 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 mt -131.43 150.12 52.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 p -148.6 18.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.475 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -82.05 50.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.396 1.06 . . . . 0.0 110.288 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -16.25 43.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.646 1.216 . . . . 0.0 109.214 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -82.0 -40.81 21.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' HB3' ' CG ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -65.44 -45.12 85.08 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -68.52 -36.83 79.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.259 0.974 . . . . 0.0 110.352 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' ARG . 21.0 mt-10 -68.99 -40.05 79.02 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.332 1.02 . . . . 0.0 110.064 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.487 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 4.3 mt-30 -61.49 -50.12 74.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.7 mt -40.58 -31.18 0.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.702 1.251 . . . . 0.0 109.228 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.627 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.93 65.28 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.412 1.07 . . . . 0.0 111.055 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.611 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 12.6 mtp-105 -51.15 -44.46 87.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.64 0.847 . . . . 0.0 110.254 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 19.4 Cg_endo -74.76 57.99 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 111.183 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.654 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.29 -167.68 1.98 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.539 1.15 . . . . 0.0 110.832 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' CE2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -134.27 -175.25 3.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.651 1.219 . . . . 0.0 109.272 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.1 -16.18 57.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.33 -31.21 71.07 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.489 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 1.6 mt-10 -66.84 -33.92 76.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.368 1.042 . . . . 0.0 110.314 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.513 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 31.6 mt -61.57 -57.68 11.12 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 80' ' ' LEU . 7.7 pt-20 -65.18 -19.59 66.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.3 mt -81.75 -62.24 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.672 1.232 . . . . 0.0 109.441 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' N ' HG21 ' A' ' 78' ' ' ILE . 77.5 m-20 -68.74 67.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.232 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 55.1 mt -123.31 162.59 22.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.362 1.039 . . . . 0.0 109.492 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.3 -71.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.87 -178.42 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 109.787 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -167.25 143.14 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 111.051 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.32 -80.55 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.394 1.058 . . . . 0.0 109.216 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.31 -148.37 0.02 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.471 1.107 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -121.46 157.8 29.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 0.756 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.642 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 1.1 pp -125.78 150.75 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.627 1.204 . . . . 0.0 109.196 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -139.18 120.42 14.78 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.556 1.16 . . . . 0.0 110.152 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.8 135.56 44.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.553 1.158 . . . . 0.0 109.548 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 91' ' ' GLU . 10.9 t0 -105.8 179.92 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.667 1.229 . . . . 0.0 109.272 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.29 -44.37 0.13 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.372 1.045 . . . . 0.0 110.143 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -158.11 64.91 0.45 Allowed 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.404 1.065 . . . . 0.0 109.446 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -173.44 163.83 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.334 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.54 124.28 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 155.04 47.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.419 1.074 . . . . 0.0 110.227 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.448 ' CE1' HG21 ' A' ' 87' ' ' ILE . 17.8 m-30 -119.07 138.47 52.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 111.033 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 46.9 p90 -140.54 113.98 8.65 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.631 1.207 . . . . 0.0 110.882 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -78.35 4.19 13.63 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.688 1.242 . . . . 0.0 110.883 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.57 91.34 7.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.187 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -79.56 -74.89 0.27 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.28 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 t -67.72 121.67 16.45 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 110.336 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.57 0 O-C-N 124.621 1.201 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' THR . 2.4 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' SER . 18.0 p -54.03 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.444 1.09 . . . . 0.0 110.464 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.406 ' C ' ' CD2' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -117.66 -171.41 2.05 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.62 176.91 6.87 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.624 1.203 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -156.95 -178.11 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -155.1 178.06 10.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.335 1.022 . . . . 0.0 110.354 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.12 59.27 1.47 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 1.3 mm? -110.32 -172.66 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.186 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 65.29 -163.12 0.26 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.511 1.132 . . . . 0.0 109.677 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -48.37 135.63 13.57 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.645 1.216 . . . . 0.0 109.319 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . 1.2 m-20 -154.55 -82.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.644 1.215 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.603 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 4.3 p-10 -168.56 142.24 3.1 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.512 1.133 . . . . 0.0 109.185 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 52' ' ' ALA . 4.5 m -95.05 167.59 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.703 1.252 . . . . 0.0 109.38 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.31 73.8 0.19 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.352 1.033 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' C ' ' CD1' ' A' ' 16' ' ' ILE . 18.0 Cg_endo -75.12 130.56 13.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.633 1.859 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 3.0 mm -124.49 133.51 69.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.0 pt -144.71 171.39 6.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.614 1.196 . . . . 0.0 109.37 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.559 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 4.5 ptt180 -105.96 49.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' CB ' HG23 ' A' ' 48' ' ' VAL . . . -66.2 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.55 82.0 0.32 Allowed Glycine 0 CA--C 1.533 1.159 0 O-C-N 124.565 1.166 . . . . 0.0 110.868 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.14 -70.02 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.654 0.855 . . . . 0.0 109.394 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 28.4 mt -145.22 18.0 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 O-C-N 124.447 1.092 . . . . 0.0 109.174 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 2.2 t -79.16 -9.67 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -73.69 -59.34 1.94 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.252 0.97 . . . . 0.0 110.442 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -75.01 -13.03 21.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.629 1.858 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.12 -45.25 16.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 6.6 tp -68.06 -35.97 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 O-C-N 124.408 1.068 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -66.72 -42.16 86.78 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.535 1.147 . . . . 0.0 110.445 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -77.43 -27.5 52.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 110.401 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.45 -17.32 52.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.601 1.188 . . . . 0.0 109.227 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -89.53 -39.27 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.353 1.033 . . . . 0.0 110.395 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 pp -67.79 -29.41 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 124.539 1.149 . . . . 0.0 109.448 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -62.39 -24.62 67.48 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.569 1.168 . . . . 0.0 109.086 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.26 155.05 44.16 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.552 1.157 . . . . 0.0 109.227 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.1 56.23 4.24 Favored 'Trans proline' 0 C--N 1.362 1.271 0 O-C-N 124.239 1.652 . . . . 0.0 111.21 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.82 58.91 1.8 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.64 1.213 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 46.12 1.35 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.324 0.661 . . . . 0.0 109.359 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -178.62 50.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -130.11 148.87 33.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.415 1.072 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -116.36 113.22 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.596 1.185 . . . . 0.0 110.462 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.0 t -103.0 129.31 54.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 124.28 0.988 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.88 86.04 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.48 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -97.17 124.89 41.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.389 1.056 . . . . 0.0 109.45 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -95.81 -53.41 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 162.97 -62.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.385 1.053 . . . . 0.0 110.262 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.578 ' C ' ' CD1' ' A' ' 47' ' ' TYR . . . -87.97 11.86 14.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.458 1.098 . . . . 0.0 109.216 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' ' 46' ' ' ALA . 61.6 m-85 -155.22 178.91 9.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.787 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 HG21 ' CG1' ' A' ' 23' ' ' VAL . 71.6 t -156.35 118.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.19 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 36.5 ttt180 -118.26 146.54 44.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.255 0.972 . . . . 0.0 110.372 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.7 mt -130.92 157.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 O-C-N 124.614 1.197 . . . . 0.0 109.389 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.55 124.0 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.404 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . . . -138.78 129.03 25.61 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.619 1.199 . . . . 0.0 109.21 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.22 71.66 7.22 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.664 1.227 . . . . 0.0 110.353 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.29 -90.92 0.13 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.488 1.118 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 97' ' ' TYR . 6.0 pt-20 -179.64 161.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.339 0.67 . . . . 0.0 110.121 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 52' ' ' ALA . 3.4 mm? -141.16 174.13 10.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.227 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pp -148.58 139.75 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.162 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.27 156.54 38.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.217 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.9 p -142.99 15.6 1.91 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 1.15 . . . . 0.0 110.386 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.72 42.05 1.03 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.641 1.213 . . . . 0.0 110.174 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -21.56 25.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.379 1.05 . . . . 0.0 109.166 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -49.79 41.2 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.66 1.225 . . . . 0.0 110.422 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.418 HD21 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -59.77 -45.9 90.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.207 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' N ' HD21 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -65.26 -41.34 94.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.349 1.031 . . . . 0.0 110.314 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' ARG . 14.0 mt-10 -63.91 -43.01 97.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 110.13 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.513 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.2 mt-30 -61.07 -52.45 64.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.348 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' GLN . 13.2 mt -40.41 -29.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.172 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -158.4 66.7 0.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.651 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 7.2 mtp180 -55.31 -42.52 96.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.399 0.706 . . . . 0.0 110.236 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.02 3.6 5.49 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.302 1.685 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.747 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -98.22 -177.97 3.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.395 1.059 . . . . 0.0 111.162 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.614 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -140.84 166.1 25.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -15.92 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -30.97 70.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.403 1.064 . . . . 0.0 110.204 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' ASN . 0.6 OUTLIER -71.95 -28.65 63.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.17 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.42 -48.03 79.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.508 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -73.72 -25.08 60.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.207 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -80.49 -65.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.659 1.224 . . . . 0.0 109.326 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.492 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 2.4 m-20 -70.5 86.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.596 1.185 . . . . 0.0 109.198 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -148.95 167.7 25.06 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.435 1.084 . . . . 0.0 109.231 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.56 -72.03 0.7 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.607 1.192 . . . . 0.0 109.421 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -147.67 -175.1 4.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.589 1.181 . . . . 0.0 110.025 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 82' ' ' SER . 45.9 m-85 -166.26 125.6 1.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.283 0.989 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.87 37.26 1.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.412 1.07 . . . . 0.0 109.263 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -174.97 -152.77 9.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.528 1.143 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -126.07 165.08 19.5 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.364 0.685 . . . . 0.0 110.271 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.557 HD13 ' CE2' ' A' ' 96' ' ' PHE . 16.0 tt -143.55 159.93 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -152.88 176.44 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 110.257 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.31 154.42 34.54 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.632 1.208 . . . . 0.0 109.207 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.465 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 10.6 t0 -120.12 -172.2 2.3 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.549 1.156 . . . . 0.0 109.211 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.6 pt-20 -31.65 -53.21 0.25 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.593 1.183 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.61 60.85 0.81 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.636 1.21 . . . . 0.0 109.414 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.465 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -162.43 168.7 21.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.327 1.017 . . . . 0.0 110.337 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.3 tt -133.98 120.36 35.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -106.61 160.91 15.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.402 1.064 . . . . 0.0 110.459 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -141.92 144.81 33.96 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.4 1.063 . . . . 0.0 110.958 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.468 ' CB ' ' HB3' ' A' ' 55' ' ' GLU . 11.9 p90 -176.15 158.73 1.99 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.725 1.265 . . . . 0.0 110.776 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 12' ' ' ASN . 59.7 t80 -106.66 87.87 2.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.84 118.51 14.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.458 1.098 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.38 -82.26 0.09 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.4 t -70.77 130.25 41.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 124.541 1.15 . . . . 0.0 110.482 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.4 mtt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.747 1.28 . . . . 0.0 111.136 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 m -39.26 141.43 0.34 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.373 1.046 . . . . 0.0 110.416 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.98 92.74 0.22 Allowed 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 124.389 1.056 . . . . 0.0 109.402 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.38 117.46 4.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.212 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.88 107.88 19.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.713 1.258 . . . . 0.0 109.206 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.6 129.28 49.12 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -123.15 -128.49 0.26 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.605 1.191 . . . . 0.0 109.308 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mt -150.2 -93.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.446 ' ND1' ' OD1' ' A' ' 99' ' ' ASP . 28.6 t60 65.0 88.44 0.1 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.547 1.154 . . . . 0.0 109.598 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.3 t30 62.24 120.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.623 1.202 . . . . 0.0 109.261 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -173.29 -88.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.579 1.174 . . . . 0.0 109.189 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -157.28 134.35 10.27 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.437 1.086 . . . . 0.0 109.163 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 98' ' ' PHE . 21.5 m -104.73 177.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 124.575 1.172 . . . . 0.0 109.407 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.428 ' N ' ' HB1' ' A' ' 84' ' ' ALA . . . -168.92 94.37 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.196 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 18.1 Cg_endo -75.02 127.25 10.52 Favored 'Trans proline' 0 C--N 1.356 0.955 0 O-C-N 124.466 1.771 . . . . 0.0 110.999 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 15.9 mm -114.05 128.4 71.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.651 1.219 . . . . 0.0 109.351 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.9 pt -152.71 175.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 124.67 1.231 . . . . 0.0 109.138 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -82.34 165.76 20.06 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.27 144.86 30.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.722 1.264 . . . . 0.0 109.385 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.94 -80.43 1.21 Allowed Glycine 0 CA--C 1.532 1.135 0 O-C-N 124.595 1.184 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.69 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 0.775 . . . . 0.0 109.243 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.522 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 1.7 mt -108.36 17.21 22.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.111 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -82.38 -12.32 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 124.269 0.981 . . . . 0.0 109.206 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -78.95 -54.87 1.0 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.73 1.269 . . . . 0.0 110.361 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.522 ' HD2' ' C ' ' A' ' 22' ' ' LEU . 18.8 Cg_endo -75.07 -13.63 21.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.644 1.865 . . . . 0.0 110.977 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 9.0 t -88.1 -47.52 15.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.435 1.084 . . . . 0.0 109.177 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 50' ' ' ILE . 7.8 tp -62.74 -34.9 68.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -50.43 47.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.579 1.174 . . . . 0.0 110.13 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 m -69.94 -21.85 63.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.96 -18.02 41.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.636 1.21 . . . . 0.0 109.107 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' ASN . 39.2 mm-40 -84.86 -38.42 19.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.405 1.066 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.421 HD11 ' N ' ' A' ' 33' ' ' ASP . 1.2 pp -71.42 -38.96 70.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' N ' HD11 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -53.35 -27.2 22.41 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -115.41 157.86 42.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 124.559 1.162 . . . . 0.0 109.38 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 55.2 3.94 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.35 55.48 2.07 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.534 1.146 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.53 46.42 1.38 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 0.731 . . . . 0.0 109.295 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.98 50.79 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 124.297 0.998 . . . . 0.0 110.306 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.431 HG12 ' CB ' ' A' ' 52' ' ' ALA . 1.3 mp -132.82 127.86 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.642 1.214 . . . . 0.0 109.185 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -95.27 114.2 25.95 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.384 1.053 . . . . 0.0 110.294 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.98 142.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -132.08 69.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.133 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.43 110.23 21.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.623 1.202 . . . . 0.0 109.239 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 3.9 tpt180 -82.88 -57.67 3.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.353 1.033 . . . . 0.0 110.188 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER 161.87 -48.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.38 1.05 . . . . 0.0 110.332 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.69 -26.71 37.36 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 109.39 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -138.92 167.1 22.79 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 111.194 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.1 t -130.11 115.75 34.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.573 1.17 . . . . 0.0 109.208 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 16.1 ttp-105 -121.0 152.16 38.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.249 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 27' ' ' ILE . 6.5 mt -136.35 166.43 26.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.608 1.193 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.85 116.18 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.755 1.284 . . . . 0.0 109.23 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' CB ' HG12 ' A' ' 39' ' ' ILE . . . -131.04 -170.2 2.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.638 1.211 . . . . 0.0 109.139 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -25.95 34.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.449 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . 94.78 58.54 1.18 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.622 1.201 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -176.7 53.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 110.226 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' C ' ' CG2' ' A' ' 57' ' ' ILE . 2.3 mm? -116.44 -179.04 3.56 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.425 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -149.91 150.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.625 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.2 153.08 47.84 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.322 1.014 . . . . 0.0 109.412 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.7 p -143.64 14.57 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.36 1.038 . . . . 0.0 110.465 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 48.01 1.56 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.72 1.262 . . . . 0.0 110.233 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -21.14 66.16 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.617 1.198 . . . . 0.0 109.22 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 t -73.44 -35.97 65.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -75.93 -40.34 54.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.306 1.004 . . . . 0.0 109.325 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.61 -27.12 62.9 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.819 1.325 . . . . 0.0 110.506 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -38.5 55.22 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.611 1.194 . . . . 0.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -68.25 -48.41 65.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.7 mt -43.46 -27.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.323 1.014 . . . . 0.0 109.196 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.45 65.03 0.32 Allowed Glycine 0 CA--C 1.526 0.746 0 O-C-N 124.703 1.252 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.64 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 11.4 mtp-105 -54.35 -43.23 97.34 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 124.452 0.736 . . . . 0.0 110.199 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.9 Cg_endo -74.94 58.71 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.591 1.837 . . . . 0.0 111.087 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -155.68 -159.34 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.609 1.193 . . . . 0.0 111.063 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.58 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.05 -156.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.2 mtt -89.91 -40.63 12.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.437 1.086 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.32 -33.44 42.53 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.661 1.226 . . . . 0.0 110.377 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -25.43 63.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -65.83 -52.88 46.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.499 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.84 -14.55 62.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 110.357 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -90.35 -64.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.474 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 8.7 m-80 -73.01 68.74 0.94 Allowed 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 124.635 1.209 . . . . 0.0 109.436 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.46 162.34 33.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.277 0.986 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.95 -56.22 2.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.63 1.206 . . . . 0.0 109.438 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.33 -168.39 0.71 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.333 1.021 . . . . 0.0 110.043 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -170.46 118.12 0.53 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.311 1.007 . . . . 0.0 110.986 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB1' ' N ' ' A' ' 14' ' ' GLY . . . -88.28 13.33 11.79 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.526 1.141 . . . . 0.0 109.115 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 98' ' ' PHE . . . -148.51 -168.5 14.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -116.44 144.16 44.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 0.739 . . . . 0.0 110.399 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.594 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 30.5 pt -125.97 136.43 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -125.72 119.47 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 110.128 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.3 142.81 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -120.81 -176.15 3.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.281 0.988 . . . . 0.0 109.194 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -29.89 -55.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.383 1.052 . . . . 0.0 110.328 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -151.8 63.7 0.86 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.241 0.963 . . . . 0.0 109.408 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.482 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 10.1 pt20 -174.97 173.92 2.59 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.557 1.161 . . . . 0.0 110.232 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.6 tt -152.1 119.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.385 1.053 . . . . 0.0 109.473 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.86 145.55 35.12 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.17 . . . . 0.0 110.228 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.503 ' CG ' HG23 ' A' ' 87' ' ' ILE . 4.4 m-85 -108.65 118.74 37.57 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.691 1.244 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 19.8 p90 -130.84 164.37 25.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD1' HG11 ' A' ' 13' ' ' VAL . 1.9 t80 -141.07 110.85 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.109 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.446 ' OD1' ' ND1' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -174.43 94.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -61.8 -76.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.152 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 t -64.47 112.87 3.32 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.456 1.097 . . . . 0.0 110.47 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.352 1.032 . . . . 0.0 110.949 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.2 t -98.11 157.24 16.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.667 1.23 . . . . 0.0 110.305 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.04 175.88 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.22 170.24 12.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.137 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -75.78 165.24 25.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.574 1.171 . . . . 0.0 109.195 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.73 -40.13 2.47 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.656 1.222 . . . . 0.0 110.225 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 59.21 79.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.74 -169.37 1.9 Allowed 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.504 1.128 . . . . 0.0 109.596 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.462 ' NE2' ' NZ ' ' A' ' 100' ' ' LYS . 12.0 m170 66.59 143.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.556 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' HIS . 11.7 p-10 -40.39 130.39 2.3 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.342 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 17.6 m-20 -151.88 -54.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.759 1.287 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 179.99 147.79 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.356 1.035 . . . . 0.0 109.197 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -106.8 129.75 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.308 1.005 . . . . 0.0 109.103 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.9 76.79 0.34 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.525 1.141 . . . . 0.0 111.163 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 83' ' ' PHE . 18.6 Cg_endo -75.01 114.05 3.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 HD11 ' CB ' ' A' ' 49' ' ' ARG . 1.0 OUTLIER -109.38 124.31 65.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 O-C-N 124.602 1.189 . . . . 0.0 109.181 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.0 pt -146.63 168.48 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.706 1.253 . . . . 0.0 109.387 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -82.54 -176.39 6.22 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.551 1.157 . . . . 0.0 110.419 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' CB ' HG23 ' A' ' 48' ' ' VAL . . . -155.91 155.17 32.39 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.672 1.233 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.24 -55.09 0.12 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.346 1.029 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.4 t0 179.84 163.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.399 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 2.2 mm? 66.24 10.64 7.31 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.515 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 2.1 t -80.39 -10.03 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.504 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.8 mt-10 -77.25 -57.03 1.14 Allowed Pre-proline 0 N--CA 1.452 -0.332 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.1 Cg_endo -75.13 -13.27 21.2 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.506 1.792 . . . . 0.0 110.82 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 63' ' ' LEU . 3.3 t -88.49 -46.35 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 2.8 tp -68.74 -26.79 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.47 -34.47 28.07 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m -82.48 -22.48 35.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.44 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.45 -34.69 41.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.301 1.001 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.87 -45.9 73.22 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 124.663 1.227 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 pt -60.77 -39.41 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -53.12 -24.18 9.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.48 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.45 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -122.93 175.48 2.67 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.413 1.07 . . . . 0.0 109.23 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 17.7 Cg_endo -75.34 80.58 2.47 Favored 'Trans proline' 0 C--N 1.362 1.283 0 O-C-N 124.504 1.792 . . . . 0.0 110.908 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.97 34.81 3.81 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.479 1.112 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.09 23.05 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 0.798 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -178.74 50.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.356 1.035 . . . . 0.0 110.178 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -137.09 150.72 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.387 1.054 . . . . 0.0 109.169 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.5 m -124.99 115.17 20.13 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.625 1.203 . . . . 0.0 110.472 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.475 ' CG1' ' OD1' ' A' ' 43' ' ' ASP . 58.3 t -98.58 143.72 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.199 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.57 81.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.215 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.475 ' OD1' ' CG1' ' A' ' 41' ' ' VAL . 3.1 m-20 -93.44 103.69 15.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.304 1.002 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -81.02 -54.44 5.55 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.429 1.081 . . . . 0.0 110.255 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 5.5 mtt180 162.01 -50.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.62 -54.15 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.366 1.042 . . . . 0.0 109.073 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -105.56 162.81 13.17 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.451 1.094 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.486 ' CG2' HG13 ' A' ' 23' ' ' VAL . 11.6 t -133.61 114.62 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 124.662 1.226 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' CB ' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -118.8 163.73 16.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.224 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mt -139.21 171.43 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.044 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -152.46 123.93 7.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.486 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . . . -134.72 174.01 11.05 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.624 1.203 . . . . 0.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -57.84 -21.4 42.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.735 1.272 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.93 37.39 0.58 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -176.55 122.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 24.4 mt -148.69 167.38 25.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -150.69 125.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.725 1.266 . . . . 0.0 109.259 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.99 152.26 36.71 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.568 1.167 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 p -140.94 22.54 2.27 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.567 1.167 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.68 45.05 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.285 0.991 . . . . 0.0 110.35 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -13.44 62.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.14 . . . . 0.0 109.219 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 t -86.6 -33.77 20.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -80.87 -36.01 31.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.624 1.202 . . . . 0.0 109.204 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.69 -30.24 62.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -73.66 -37.81 65.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.511 1.132 . . . . 0.0 110.486 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.7 mt-30 -66.26 -49.59 66.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 mt -42.28 -28.27 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 0.0 109.165 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.611 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.23 65.38 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 16.2 mtp-105 -53.91 -43.28 96.32 Favored Pre-proline 0 N--CA 1.452 -0.334 0 O-C-N 124.595 0.821 . . . . 0.0 110.442 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.2 Cg_endo -74.9 63.43 5.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.393 1.733 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.83 -162.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 110.822 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -150.07 -163.47 1.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -14.43 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.347 1.029 . . . . 0.0 110.942 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.26 -43.19 99.4 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.74 -21.85 62.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.589 1.181 . . . . 0.0 110.104 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.452 ' CD2' ' CE2' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -65.13 -41.54 94.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.147 . . . . 0.0 109.22 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 12.0 tt0 -89.0 -14.66 36.01 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.667 1.229 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.17 -18.82 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 O-C-N 124.386 1.054 . . . . 0.0 109.622 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -97.26 70.77 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.178 . . . . 0.0 109.138 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 77' ' ' GLU . 1.5 mt -135.06 169.04 18.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.652 1.22 . . . . 0.0 109.424 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.13 -47.51 0.78 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.693 1.246 . . . . 0.0 109.473 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.432 ' N ' HG21 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -174.48 -179.47 1.55 Allowed 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.556 1.16 . . . . 0.0 109.99 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 1.7 t80 -172.35 150.56 2.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.344 1.027 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.32 -44.6 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.29 -148.82 24.76 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -112.97 166.96 10.92 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.584 0.814 . . . . 0.0 110.078 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.56 HG13 ' CZ ' ' A' ' 83' ' ' PHE . 4.7 mp -123.75 151.32 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.177 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -168.96 127.01 1.01 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 93' ' ' GLN . . . -107.42 170.65 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.508 ' CB ' ' OE1' ' A' ' 93' ' ' GLN . 3.6 t70 -119.44 -171.62 2.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.607 1.192 . . . . 0.0 109.448 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.6 pt-20 -32.65 -55.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.773 1.296 . . . . 0.0 110.419 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -148.57 61.79 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.668 1.23 . . . . 0.0 109.247 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.509 ' NE2' ' HE ' ' A' ' 95' ' ' ARG . 5.5 pt20 -164.86 173.98 11.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.37 120.81 29.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.424 1.078 . . . . 0.0 109.224 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.509 ' HE ' ' NE2' ' A' ' 93' ' ' GLN . 89.9 mtt180 -116.75 147.49 41.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -125.32 142.01 51.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.64 1.213 . . . . 0.0 111.018 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.406 ' CA ' HG13 ' A' ' 13' ' ' VAL . 2.6 p90 -157.97 156.72 31.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.343 1.027 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 11' ' ' ASN . 74.9 t80 -117.0 92.74 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 111.066 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.53 162.11 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' NZ ' ' NE2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -102.63 -165.99 1.24 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.476 1.11 . . . . 0.0 109.195 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 100' ' ' LYS . 3.3 t -41.8 164.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.314 1.009 . . . . 0.0 110.375 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.7 ttm . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.76 1.288 . . . . 0.0 110.949 -179.857 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -158.2 52.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.366 1.041 . . . . 0.0 110.467 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.82 111.64 23.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.2 167.04 22.61 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.581 1.175 . . . . 0.0 109.504 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.3 OUTLIER -129.04 146.76 50.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.311 1.007 . . . . 0.0 109.329 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -90.68 -74.54 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.458 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.68 84.36 0.41 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.587 1.18 . . . . 0.0 109.411 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.82 -177.26 3.1 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.653 1.221 . . . . 0.0 109.322 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m170 63.67 88.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.51 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.87 146.74 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.373 1.046 . . . . 0.0 109.372 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 6.8 m-20 -179.54 -78.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -177.3 139.36 0.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -104.29 135.19 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.259 0.974 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.53 76.35 0.34 Allowed Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.454 1.096 . . . . 0.0 110.878 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 19.2 Cg_endo -75.06 140.12 24.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.598 1.841 . . . . 0.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -127.68 138.34 55.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.72 1.262 . . . . 0.0 109.284 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -144.0 177.68 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.625 1.203 . . . . 0.0 109.235 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ALA . 4.2 ptm180 -108.28 57.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' CB ' HG22 ' A' ' 23' ' ' VAL . . . -38.74 156.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.41 1.069 . . . . 0.0 109.301 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.35 -73.56 0.66 Allowed Glycine 0 CA--C 1.532 1.142 0 O-C-N 124.406 1.066 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -171.93 33.17 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.403 0.707 . . . . 0.0 109.473 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 26.9 mt -149.58 19.17 0.92 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.129 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 HG22 ' CB ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -84.91 -15.47 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.8 mt-10 -71.95 -55.97 4.92 Favored Pre-proline 0 C--N 1.328 -0.367 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -75.13 -17.81 18.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.653 1.87 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 4.7 t -81.66 -41.36 18.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 28' ' ' GLU . 2.3 tp -69.29 -38.91 78.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 O-C-N 124.587 1.179 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' N ' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -61.39 -40.83 95.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.728 1.268 . . . . 0.0 110.491 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 m -80.03 -28.47 39.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.649 1.218 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.82 -14.1 58.92 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.598 1.187 . . . . 0.0 109.333 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.93 -40.94 14.36 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.426 1.079 . . . . 0.0 110.156 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 pt -64.7 -36.82 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.233 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.23 -32.28 73.81 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.673 1.233 . . . . 0.0 109.24 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 57' ' ' ILE . 1.5 t-20 -94.51 133.79 26.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.347 1.03 . . . . 0.0 109.195 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 0.3 9.03 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.581 1.832 . . . . 0.0 110.785 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.05 53.33 4.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 67.26 0.22 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -179.76 52.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 40' ' ' THR . 12.2 mt -117.05 158.11 17.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.578 1.174 . . . . 0.0 109.466 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.409 ' N ' HG23 ' A' ' 39' ' ' ILE . 3.7 m -113.84 112.87 24.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.48 144.49 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.468 1.105 . . . . 0.0 109.428 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -131.15 115.53 16.51 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -108.3 121.92 45.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 19.9 tpt85 -88.06 -42.5 12.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.604 1.19 . . . . 0.0 110.195 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 3.8 mtt180 159.66 -72.46 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.715 1.26 . . . . 0.0 110.29 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.39 -50.79 11.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 3.7 m-30 -103.24 165.13 11.21 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 19' ' ' ALA . 44.2 t -135.41 149.38 28.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.614 1.196 . . . . 0.0 109.179 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -139.31 157.92 45.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 mt -129.49 169.28 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.71 1.257 . . . . 0.0 109.308 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -149.57 95.01 2.28 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.288 0.993 . . . . 0.0 109.446 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.59 ' CB ' ' CD1' ' A' ' 56' ' ' LEU . . . -101.9 177.79 4.8 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.527 1.142 . . . . 0.0 109.114 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -65.05 -26.9 68.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.579 1.174 . . . . 0.0 110.4 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.32 -56.72 0.52 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -92.3 134.89 34.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 0.827 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.59 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 70.7 mt -148.75 159.83 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.363 1.04 . . . . 0.0 109.295 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 2.7 pp -140.45 129.5 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.642 1.213 . . . . 0.0 109.429 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.93 140.55 50.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 109.444 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.5 p -129.91 7.58 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 110.32 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.91 44.98 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 110.238 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -20.13 55.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.373 1.046 . . . . 0.0 109.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.5 t -71.65 -48.89 44.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.301 1.001 . . . . 0.0 110.219 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -61.42 -44.28 97.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.627 1.204 . . . . 0.0 109.219 -179.804 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' N ' HD22 ' A' ' 63' ' ' LEU . 1.7 mm-40 -68.6 -33.35 73.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' ARG . 18.6 mt-10 -71.17 -40.73 71.09 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -63.69 -50.4 69.35 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.385 1.053 . . . . 0.0 110.474 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.5 mt -42.98 -27.9 0.22 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.486 1.116 . . . . 0.0 109.396 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.631 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.45 65.42 0.3 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.754 1.284 . . . . 0.0 110.958 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 40.5 mtm180 -54.0 -43.92 97.51 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.454 0.737 . . . . 0.0 110.35 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.8 Cg_endo -74.78 62.09 5.6 Favored 'Trans proline' 0 C--N 1.357 1.007 0 O-C-N 124.429 1.752 . . . . 0.0 111.155 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.687 ' CE2' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.03 -174.63 4.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.409 1.068 . . . . 0.0 111.079 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -170.6 -169.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.227 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -41.94 -70.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.631 1.207 . . . . 0.0 110.95 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 73' ' ' MET . 0.8 OUTLIER -36.32 -52.49 0.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.743 1.277 . . . . 0.0 110.243 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -41.15 95.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.687 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -52.98 -52.56 57.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.526 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -14.52 62.99 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.606 1.191 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -88.47 -58.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.523 1.139 . . . . 0.0 109.435 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.402 ' N ' HG21 ' A' ' 78' ' ' ILE . 2.5 m-80 -70.16 77.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.258 0.974 . . . . 0.0 109.23 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -164.53 166.64 20.19 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.562 1.163 . . . . 0.0 109.222 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.47 -73.12 0.67 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.093 . . . . 0.0 109.393 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.13 -168.84 3.19 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.685 1.241 . . . . 0.0 110.018 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -178.49 106.83 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.57 1.169 . . . . 0.0 111.225 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.44 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.514 1.134 . . . . 0.0 109.204 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.95 -167.06 3.77 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.422 1.076 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.493 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . 4.5 mt-30 -93.7 174.99 6.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.662 0.86 . . . . 0.0 110.253 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.545 HG22 ' CE1' ' A' ' 83' ' ' PHE . 18.1 pt -135.93 147.39 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.195 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -141.75 159.95 41.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.482 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.95 140.5 22.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.601 1.188 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -108.98 -168.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.0 pt-20 -30.23 -59.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.644 1.215 . . . . 0.0 110.253 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -148.23 61.04 1.11 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.72 1.263 . . . . 0.0 109.221 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.48 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.8 pt20 -161.16 162.94 31.52 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.423 1.077 . . . . 0.0 110.238 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -137.36 119.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 109.478 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.59 140.63 52.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -107.36 157.75 17.71 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.6 ' O ' ' CD1' ' A' ' 97' ' ' TYR . 40.7 p90 -165.98 124.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.347 1.029 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 11' ' ' ASN . 1.1 t80 -78.69 -10.75 59.87 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.573 1.171 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.66 141.01 49.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.724 1.265 . . . . 0.0 109.344 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.459 ' HE3' ' CE1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -87.72 -88.44 0.14 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.352 1.033 . . . . 0.0 109.444 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 t -49.63 -26.99 4.09 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.405 1.065 . . . . 0.0 110.516 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 C--N 1.327 -0.394 0 O-C-N 124.455 1.097 . . . . 0.0 110.95 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 m -159.44 139.69 12.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.068 . . . . 0.0 110.455 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 159.08 2.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.115 . . . . 0.0 109.429 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.94 166.89 10.49 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.56 1.163 . . . . 0.0 109.149 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.7 t0 179.3 151.88 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.321 1.013 . . . . 0.0 109.318 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -148.67 122.64 9.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.66 1.225 . . . . 0.0 110.253 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -170.57 44.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.351 1.032 . . . . 0.0 109.321 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 9' ' ' HIS . 0.1 OUTLIER -111.74 166.98 10.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.069 . . . . 0.0 109.178 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.462 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 8.3 t-80 84.01 70.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.485 1.115 . . . . 0.0 109.697 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' HIS . 28.9 m-20 61.93 133.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -171.06 -88.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.741 1.276 . . . . 0.0 109.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -156.59 128.1 7.11 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.404 1.065 . . . . 0.0 109.418 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.453 HG22 ' CB ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -101.65 141.63 17.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.608 1.192 . . . . 0.0 109.412 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.08 86.98 0.27 Allowed Glycine 0 CA--C 1.527 0.842 0 O-C-N 124.476 1.11 . . . . 0.0 111.141 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 127.33 10.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.306 1.688 . . . . 0.0 110.932 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.3 mm -118.4 117.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.9 pt -137.82 168.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 124.637 1.211 . . . . 0.0 109.32 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -54.29 179.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.577 1.173 . . . . 0.0 110.563 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.93 172.01 7.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 109.389 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.17 -100.7 0.2 Allowed Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.582 1.176 . . . . 0.0 110.78 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.85 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -89.77 15.41 9.76 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 2.1 t -80.37 -9.99 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.391 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.5 mt-10 -75.42 -57.65 1.61 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.8 Cg_endo -75.11 -15.14 20.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG13 ' CD2' ' A' ' 63' ' ' LEU . 3.5 t -84.86 -47.74 16.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.581 1.176 . . . . 0.0 109.512 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 24' ' ' GLU . 9.8 tp -64.3 -41.62 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.668 1.23 . . . . 0.0 109.337 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -44.87 95.0 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.321 1.013 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -69.99 -34.57 73.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.28 73.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -70.56 -48.94 52.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.593 1.183 . . . . 0.0 110.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.01 -10.65 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.332 1.02 . . . . 0.0 109.086 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -87.25 -10.1 53.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.561 1.163 . . . . 0.0 109.23 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -126.77 155.99 74.36 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.552 1.157 . . . . 0.0 109.167 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -1.99 11.95 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.43 52.99 4.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.103 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 63.05 0.21 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.508 0.77 . . . . 0.0 109.347 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -178.91 56.05 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.7 mm -113.53 153.16 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.6 m -114.64 112.69 23.28 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.662 1.226 . . . . 0.0 110.401 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.66 149.89 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.64 1.212 . . . . 0.0 109.126 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -137.71 92.24 2.66 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.621 1.2 . . . . 0.0 110.264 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -90.56 109.15 20.31 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.455 1.097 . . . . 0.0 109.416 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -71.98 0.47 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.332 1.02 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 168.51 -45.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.199 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.528 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . . . -83.28 -33.84 25.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.445 1.091 . . . . 0.0 109.397 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CD2' ' HB2' ' A' ' 46' ' ' ALA . 53.4 m-85 -144.16 168.9 18.94 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.714 1.259 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.5 t -122.17 128.65 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.12 145.7 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 mt -125.47 170.42 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.189 . . . . 0.0 109.098 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.48 99.41 3.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.453 ' CB ' HG22 ' A' ' 13' ' ' VAL . . . -100.37 169.31 9.19 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.609 1.193 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -46.7 46.68 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.339 1.024 . . . . 0.0 110.188 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.49 -74.51 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.248 0.967 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.82 115.61 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 0.749 . . . . 0.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.453 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 20.5 mt -147.87 -176.66 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.513 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -148.2 159.29 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.435 1.085 . . . . 0.0 109.429 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 57' ' ' ILE . 19.2 mt -144.21 131.36 20.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.61 1.194 . . . . 0.0 109.335 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.5 p -124.6 25.43 7.54 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.369 1.043 . . . . 0.0 110.395 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.52 29.7 0.97 Allowed 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.189 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -29.04 66.29 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.9 t -70.75 -44.58 66.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.825 1.328 . . . . 0.0 110.482 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' CD2' HG13 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -66.54 -38.58 87.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.429 ' N ' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -77.74 -21.75 51.36 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.9 -38.45 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.683 1.239 . . . . 0.0 110.409 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.409 ' C ' ' N ' ' A' ' 68' ' ' GLY . 0.3 OUTLIER -71.15 -47.05 60.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.206 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 26' ' ' VAL . 31.4 mt -43.66 -27.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.325 1.015 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.69 64.93 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.298 0.998 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.62 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 11.1 mtt180 -50.54 -44.27 82.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.499 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.7 Cg_endo -74.94 63.03 5.91 Favored 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.552 1.817 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.5 -155.02 0.41 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.386 1.054 . . . . 0.0 110.976 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.89 -177.29 6.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 109.519 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.411 ' O ' ' OE1' ' A' ' 77' ' ' GLU . 2.7 mtt -90.27 -41.12 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.351 1.032 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.408 ' O ' HG23 ' A' ' 78' ' ' ILE . 5.3 tt0 -53.72 -23.09 10.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.614 1.196 . . . . 0.0 110.247 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 2.1 pt-20 -86.03 -10.05 55.7 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.61 1.194 . . . . 0.0 110.177 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.39 -53.46 7.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.437 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.53 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 1.1 pm0 -50.45 -65.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.318 1.011 . . . . 0.0 110.304 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 74' ' ' GLN . 0.7 OUTLIER -50.26 -22.58 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 1.2 m-80 -87.96 67.74 9.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 77' ' ' GLU . 4.0 pp -141.07 150.25 42.69 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.381 1.051 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.09 -44.98 5.3 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.382 1.051 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.07 178.27 2.98 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.334 1.021 . . . . 0.0 109.827 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -158.94 176.96 11.66 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -141.72 19.31 2.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.1 . . . . 0.0 109.226 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.64 -165.03 25.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.627 1.205 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -102.79 152.19 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.553 0.796 . . . . 0.0 110.133 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 96' ' ' PHE . 1.2 pp -143.21 130.62 18.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.129 . . . . 0.0 109.499 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -129.67 163.19 26.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.376 1.048 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.31 147.49 46.95 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -112.45 -175.47 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -29.28 -52.99 0.12 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 124.38 1.05 . . . . 0.0 110.364 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -155.9 66.25 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.493 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -176.4 169.8 2.62 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.11 129.17 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.683 1.239 . . . . 0.0 109.371 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.79 167.15 11.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.629 1.206 . . . . 0.0 110.456 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 87' ' ' ILE . 4.2 m-85 -137.68 142.35 41.1 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.552 1.157 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 2.9 p90 -160.5 104.85 1.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.311 1.007 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -45.94 -32.34 2.66 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.576 1.172 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.57 140.21 6.25 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.522 1.139 . . . . 0.0 109.442 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.22 -72.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.623 1.202 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.8 t -83.19 102.89 12.19 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.322 1.014 . . . . 0.0 110.203 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.7 ptm . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 111.068 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.2 t -164.91 138.48 4.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 124.419 1.075 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.66 160.88 30.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.647 1.217 . . . . 0.0 109.443 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.47 145.08 52.98 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.236 0.96 . . . . 0.0 109.218 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.51 110.19 22.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 5.1 pt20 -94.29 158.68 15.47 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 124.502 1.126 . . . . 0.0 110.199 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 6' ' ' GLN . . . 167.94 101.26 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.442 1.089 . . . . 0.0 109.217 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 1.4 mm? -63.07 148.72 47.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.349 1.03 . . . . 0.0 109.238 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 175.83 112.23 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.541 1.151 . . . . 0.0 109.568 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.577 ' HA ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 m120 55.87 76.38 0.28 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.664 1.227 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -134.75 -75.75 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.341 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -149.46 144.52 26.38 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' CG2' ' CB ' ' A' ' 52' ' ' ALA . 2.6 m -90.52 132.13 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 O-C-N 124.256 0.973 . . . . 0.0 109.209 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.72 80.17 0.33 Allowed Glycine 0 CA--C 1.528 0.851 0 O-C-N 124.593 1.183 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 132.85 15.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.38 1.726 . . . . 0.0 111.04 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.1 mm -122.63 85.68 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.427 1.08 . . . . 0.0 109.351 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.8 pt -105.64 173.75 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 O-C-N 124.389 1.056 . . . . 0.0 109.259 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.95 172.04 12.35 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.67 149.78 23.79 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.707 1.254 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.96 -95.99 0.52 Allowed Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -179.05 149.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.577 0.81 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.508 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 5.7 mp 67.09 18.01 10.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 109.1 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.17 -13.74 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -73.75 -58.65 2.12 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 110.117 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.5 Cg_endo -75.0 -10.83 21.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.416 1.745 . . . . 0.0 111.004 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 9.4 t -89.15 -43.36 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 O-C-N 124.314 1.009 . . . . 0.0 109.423 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 28' ' ' GLU . 5.2 tp -66.82 -32.92 60.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.578 1.174 . . . . 0.0 109.36 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -70.92 -46.4 62.56 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.396 1.06 . . . . 0.0 110.359 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 25' ' ' PRO . 7.9 m -69.94 -29.99 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.355 1.034 . . . . 0.0 110.406 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.63 -19.58 59.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.204 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' ASN . 74.1 mt-10 -82.82 -45.24 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.07 . . . . 0.0 110.351 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -62.22 -28.02 43.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.635 1.209 . . . . 0.0 109.352 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -54.68 -37.91 66.33 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.402 1.064 . . . . 0.0 109.326 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -114.8 158.77 39.65 Favored Pre-proline 0 C--N 1.329 -0.326 0 O-C-N 124.63 1.206 . . . . 0.0 109.162 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 44.21 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.541 1.811 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 34' ' ' ASN . . . -95.77 59.08 1.52 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.358 1.036 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 54.41 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.562 0.801 . . . . 0.0 109.199 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.22 49.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.68 1.237 . . . . 0.0 110.194 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.7 mt -116.49 130.91 70.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 124.746 1.279 . . . . 0.0 109.24 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.6 m -103.14 126.62 50.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.627 1.204 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.5 t -116.37 145.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.253 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.0 96.38 3.63 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.04 107.7 19.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -82.96 -73.13 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.427 1.079 . . . . 0.0 110.169 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.01 -47.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 110.228 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . . . -83.46 -27.67 29.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 8.7 m-85 -149.3 163.34 37.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.2 t -122.07 125.09 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -120.62 149.0 43.15 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.604 1.19 . . . . 0.0 110.208 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 mt -130.32 169.41 21.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.554 1.159 . . . . 0.0 109.372 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.71 93.18 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.556 ' CB ' ' CD1' ' A' ' 56' ' ' LEU . . . -100.24 177.23 5.12 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.271 0.982 . . . . 0.0 109.374 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.74 -37.65 73.47 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.53 1.144 . . . . 0.0 110.488 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.606 ' HA3' ' CD2' ' A' ' 98' ' ' PHE . . . 136.54 -56.08 0.7 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' C ' ' HG ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -90.77 97.08 10.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.578 0.81 . . . . 0.0 110.332 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.556 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.1 mt -144.96 175.4 10.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.721 1.263 . . . . 0.0 109.423 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' A' ' 56' ' ' LEU . 1.7 pp -152.84 143.16 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 mt -127.44 144.56 51.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.9 p -137.8 11.75 2.91 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 110.546 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.64 46.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.208 . . . . 0.0 110.312 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -20.1 65.08 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.331 1.019 . . . . 0.0 109.381 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -43.78 59.84 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.718 1.261 . . . . 0.0 110.292 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' CD2' HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.74 -38.09 88.15 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.06 -36.46 61.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.669 1.231 . . . . 0.0 110.368 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -69.06 -39.69 78.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.102 . . . . 0.0 110.43 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.6 mm-40 -63.59 -50.85 67.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD2' HG22 ' A' ' 26' ' ' VAL . 14.7 mt -44.49 -26.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.78 65.02 0.32 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.23 0.957 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.3 mtt180 -55.38 -42.86 98.17 Favored Pre-proline 0 N--CA 1.451 -0.393 0 O-C-N 124.467 0.746 . . . . 0.0 110.315 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.1 Cg_endo -75.06 62.86 5.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.562 1.822 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.25 -157.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 111.063 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.579 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.79 161.1 31.95 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.669 1.231 . . . . 0.0 109.238 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -61.55 -27.95 68.98 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.745 1.278 . . . . 0.0 110.997 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -56.26 -31.71 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.418 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.15 -20.1 60.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.69 -52.96 17.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.437 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.505 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 14.3 tt0 -48.85 -29.0 4.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.244 0.965 . . . . 0.0 110.196 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.451 ' C ' ' CD1' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -90.33 -37.17 9.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.479 1.112 . . . . 0.0 109.385 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -73.92 70.3 1.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.572 1.17 . . . . 0.0 109.407 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 77' ' ' GLU . 2.4 pp -161.23 105.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 109.146 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.95 -50.93 53.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.419 1.074 . . . . 0.0 109.413 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -162.34 -164.58 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.368 1.043 . . . . 0.0 109.96 -179.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' A' ' 82' ' ' SER . 29.4 m-85 -166.76 -173.03 2.28 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.281 0.988 . . . . 0.0 110.82 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.87 -45.48 1.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.203 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.72 -147.26 9.33 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.634 1.208 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -105.58 166.17 10.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.353 0.678 . . . . 0.0 110.396 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.42 ' C ' ' CD1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -152.06 135.88 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.633 1.208 . . . . 0.0 109.245 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -135.01 162.92 31.09 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.3 153.69 51.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.205 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 4.3 t70 -118.23 -175.58 2.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.3 pp20? -33.63 -48.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.196 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -154.82 60.4 0.67 Allowed 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.48 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.7 pt20 -164.09 165.77 21.99 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 124.609 1.193 . . . . 0.0 110.245 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -139.82 114.63 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 O-C-N 124.605 1.191 . . . . 0.0 109.198 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.497 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -105.82 155.73 19.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.414 1.071 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -123.98 147.94 47.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 110.957 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.497 ' CE2' ' HB2' ' A' ' 95' ' ' ARG . 34.2 m-85 -146.96 131.79 18.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.368 1.042 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD2' ' HA3' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -79.99 17.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.598 1.186 . . . . 0.0 110.98 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.2 89.19 4.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.249 0.968 . . . . 0.0 109.162 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -159.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.391 1.057 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 t -40.11 152.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.2 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 m -129.44 138.36 51.4 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.444 1.09 . . . . 0.0 110.614 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.92 163.23 12.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.731 1.27 . . . . 0.0 109.273 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.21 123.44 32.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.02 125.22 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.74 1.275 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -59.99 94.84 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.444 1.09 . . . . 0.0 110.129 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.16 85.69 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.378 1.049 . . . . 0.0 109.205 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -88.48 51.06 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.657 1.223 . . . . 0.0 109.386 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.574 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 1.9 t-160 88.42 -145.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.754 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.589 ' HA ' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER 88.77 108.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 179.74 -69.95 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -167.34 150.19 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.647 1.217 . . . . 0.0 109.286 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 98' ' ' PHE . 3.7 m -129.81 -174.19 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.202 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.93 98.98 0.15 Allowed Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.414 1.071 . . . . 0.0 111.06 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.473 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 17.8 Cg_endo -75.04 110.95 3.21 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.411 1.743 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 4.0 mm -99.45 141.76 16.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.657 1.223 . . . . 0.0 109.339 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 23.0 pt -158.16 -179.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.402 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HD3' ' CB ' ' A' ' 79' ' ' ASN . 10.7 ptm180 -86.68 163.19 17.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.576 1.172 . . . . 0.0 110.402 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HA ' ' CG2' ' A' ' 48' ' ' VAL . . . -81.36 158.96 24.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.22 -91.67 0.21 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.519 1.137 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -179.42 134.89 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.409 0.711 . . . . 0.0 109.213 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.507 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 0.4 OUTLIER 65.25 19.57 11.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.6 t -79.1 -10.53 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.176 . . . . 0.0 109.266 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.511 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.1 mt-10 -77.98 -58.09 0.9 Allowed Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.574 1.171 . . . . 0.0 110.242 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.9 Cg_endo -74.92 -11.31 21.63 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.433 1.754 . . . . 0.0 111.042 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 21.3 t -90.21 -45.89 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.535 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 5.3 tp -66.55 -32.3 57.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.66 1.225 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.52 -42.34 61.88 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.549 1.156 . . . . 0.0 110.228 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 25' ' ' PRO . 31.6 m -74.39 -26.23 59.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.708 1.255 . . . . 0.0 110.298 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.27 -21.91 49.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.157 . . . . 0.0 109.49 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' OE2' ' CG2' ' A' ' 41' ' ' VAL . 29.4 mt-10 -79.11 -43.26 24.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 33' ' ' ASP . 8.8 pt -62.74 -35.95 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.341 1.026 . . . . 0.0 109.445 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.46 -39.98 64.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 124.282 0.989 . . . . 0.0 109.311 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -101.81 156.9 34.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.42 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 52.32 2.98 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.45 1.763 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.4 60.12 1.57 Allowed Glycine 0 CA--C 1.532 1.135 0 O-C-N 124.514 1.134 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 49.41 1.63 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.492 0.76 . . . . 0.0 109.18 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 179.32 47.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.685 1.241 . . . . 0.0 110.216 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.29 153.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.561 1.163 . . . . 0.0 109.411 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.4 m -128.68 123.99 34.55 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.557 1.161 . . . . 0.0 110.425 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.416 ' CG2' ' OE2' ' A' ' 31' ' ' GLU . 47.4 t -99.27 152.25 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -143.64 78.26 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.19 108.17 17.59 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.775 1.297 . . . . 0.0 109.243 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -80.49 -67.48 0.77 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 164.74 -48.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.183 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.1 -30.86 39.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.49 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -142.44 168.45 19.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 72.1 t -117.33 125.46 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 O-C-N 124.368 1.042 . . . . 0.0 109.205 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -113.0 137.46 51.36 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.312 1.007 . . . . 0.0 110.358 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 mt -130.31 146.37 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.36 1.038 . . . . 0.0 109.279 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.0 106.81 10.23 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.75 1.281 . . . . 0.0 109.251 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -92.46 154.03 18.75 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.603 1.189 . . . . 0.0 109.153 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -14.82 62.68 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.67 -74.05 0.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.069 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 6.6 pt-20 -103.87 119.54 39.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.676 0.868 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 52' ' ' ALA . 3.7 mm? -136.04 166.38 23.49 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.444 1.09 . . . . 0.0 109.147 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.426 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -150.37 138.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mt -133.74 146.49 50.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.628 1.205 . . . . 0.0 109.386 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.4 p -143.11 14.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.256 0.972 . . . . 0.0 110.618 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.91 47.44 1.4 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.63 1.206 . . . . 0.0 110.262 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -20.59 63.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.304 1.002 . . . . 0.0 109.253 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -47.41 67.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.441 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.33 -36.84 82.26 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -14.75 59.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.706 1.254 . . . . 0.0 110.408 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.79 -31.18 17.51 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.62 1.2 . . . . 0.0 110.424 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 mt-30 -80.11 -43.5 21.6 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.649 1.218 . . . . 0.0 110.325 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.3 mt -40.0 -30.91 0.1 Allowed 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.378 1.049 . . . . 0.0 109.491 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.95 65.74 0.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 110.924 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.1 mtp-105 -50.78 -44.18 84.46 Favored Pre-proline 0 C--N 1.322 -0.591 0 O-C-N 124.461 0.742 . . . . 0.0 110.263 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.8 Cg_endo -74.92 64.0 5.95 Favored 'Trans proline' 0 C--N 1.362 1.267 0 O-C-N 124.335 1.702 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.72 -154.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.574 1.171 . . . . 0.0 110.96 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.596 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.53 -169.14 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 109.152 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 25.4 ptm -90.3 -18.88 24.8 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.51 1.131 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -63.34 -32.12 73.45 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -71.0 -25.35 62.65 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.682 1.239 . . . . 0.0 110.227 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 mp -66.76 -55.34 15.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.658 1.224 . . . . 0.0 109.194 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -66.31 -15.38 63.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.37 1.044 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -90.2 -49.82 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.167 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.41 ' CB ' ' HD3' ' A' ' 18' ' ' ARG . 59.0 m-20 -69.77 64.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.231 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -117.76 160.7 20.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 17' ' ' ILE . . . -131.86 -67.7 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.368 1.042 . . . . 0.0 109.144 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.594 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -156.73 -176.91 6.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.888 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.61 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 3.6 m-85 -165.49 172.41 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.98 -37.86 6.51 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.415 1.072 . . . . 0.0 109.453 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.35 -108.69 1.14 Allowed Glycine 0 CA--C 1.533 1.178 0 O-C-N 124.552 1.158 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.86 175.7 10.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 0.8 . . . . 0.0 110.28 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.61 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -132.77 170.3 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.279 0.987 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -155.47 112.75 3.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.656 1.223 . . . . 0.0 110.393 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -99.85 132.21 45.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 109.101 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.8 t0 -92.77 -170.5 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -36.58 -42.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.302 1.002 . . . . 0.0 110.139 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -159.28 53.18 0.39 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.708 1.255 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -149.6 172.55 14.85 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.625 1.203 . . . . 0.0 110.363 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.1 tt -146.07 107.91 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.374 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.32 167.45 10.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -133.71 161.0 35.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.675 1.234 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.499 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 36.6 p90 -173.54 116.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.364 1.04 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CE1' ' HA ' ' A' ' 10' ' ' ASN . 3.0 p90 -40.25 -48.47 2.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.56 ' O ' ' C ' ' A' ' 100' ' ' LYS . 7.1 m-20 179.01 -85.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.46 1.1 . . . . 0.0 109.206 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -26.84 -84.98 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.727 1.267 . . . . 0.0 109.325 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.582 HG23 ' CE2' ' A' ' 98' ' ' PHE . 8.9 t -39.07 115.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.198 . . . . 0.0 110.608 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.6 mtm . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.375 1.047 . . . . 0.0 110.986 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 t -146.99 61.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.404 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.15 151.92 4.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.668 1.23 . . . . 0.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.11 86.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.302 1.001 . . . . 0.0 109.165 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -51.52 121.3 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -131.0 -170.45 2.36 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 56.0 56.64 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.389 1.055 . . . . 0.0 109.192 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CB ' ' HG2' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -126.6 145.54 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.385 1.053 . . . . 0.0 109.368 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.484 ' CG ' ' N ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER 170.24 -78.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.617 1.198 . . . . 0.0 109.6 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.484 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 51.9 t-20 -142.59 114.92 8.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.557 1.16 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -141.21 -89.72 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.469 1.106 . . . . 0.0 109.209 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 8.3 p-10 -161.4 152.33 18.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 98' ' ' PHE . 1.4 m -103.0 161.6 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 124.443 1.09 . . . . 0.0 109.188 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.87 84.96 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.56 6.12 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.58 1.832 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.427 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 1.1 mp -114.47 116.86 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 pt -139.87 177.81 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.175 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.9 165.52 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -90.14 128.69 36.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.63 1.206 . . . . 0.0 109.354 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.44 -78.34 1.33 Allowed Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.298 0.999 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -177.37 124.69 0.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.625 0.838 . . . . 0.0 109.492 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.491 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 0.6 OUTLIER 66.55 16.92 10.54 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.403 ' O ' HG21 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -79.47 -13.85 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 124.352 1.032 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.527 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -72.97 -58.54 2.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.664 1.227 . . . . 0.0 110.134 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.7 Cg_endo -74.9 -12.34 21.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 6.3 t -87.03 -42.72 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.467 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.403 HG21 ' O ' ' A' ' 23' ' ' VAL . 7.0 tp -67.98 -39.89 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -42.17 93.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 110.216 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 25' ' ' PRO . 23.9 m -74.66 -29.78 61.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.06 -16.12 58.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.642 1.214 . . . . 0.0 109.449 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.49 -39.28 12.69 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pp -68.98 -25.26 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 109.193 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.93 -31.47 59.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 35.4 t30 -106.72 109.73 63.29 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.703 1.252 . . . . 0.0 109.103 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.423 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 17.9 Cg_endo -75.0 -161.53 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.66 -1.11 39.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.606 1.191 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -104.29 132.27 50.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.398 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -168.59 58.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 40' ' ' THR . 2.0 mp -125.33 -90.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.516 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 14.9 t -169.27 167.57 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.344 1.027 . . . . 0.0 110.204 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' CG1' ' OD1' ' A' ' 43' ' ' ASP . 3.6 t -139.24 148.44 23.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 O-C-N 124.512 1.132 . . . . 0.0 109.204 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -115.59 70.14 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.647 1.217 . . . . 0.0 110.145 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.447 ' OD1' ' CG1' ' A' ' 41' ' ' VAL . 44.2 m-20 -95.41 80.34 3.5 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 9.1 tpt85 -80.42 -66.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER 162.79 -49.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.759 1.287 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.87 95.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -133.22 171.18 14.37 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.378 1.049 . . . . 0.0 111.136 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.1 t -124.75 116.16 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 124.593 1.183 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 19.0 ttt180 -129.27 145.78 51.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.317 1.011 . . . . 0.0 110.345 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.416 HG23 ' CG2' ' A' ' 41' ' ' VAL . 58.4 mt -138.29 160.39 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.132 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.4 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -148.81 132.81 17.18 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.618 1.199 . . . . 0.0 109.26 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' A' ' 39' ' ' ILE . . . -176.62 174.14 1.9 Allowed 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -41.94 163.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.7 49.02 1.83 Allowed Glycine 0 CA--C 1.527 0.817 0 O-C-N 124.627 1.205 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -162.49 63.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.368 0.687 . . . . 0.0 110.397 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 0.3 OUTLIER -103.3 168.73 8.98 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.591 1.182 . . . . 0.0 109.311 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.415 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 2.2 pp -151.13 135.27 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.653 1.221 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.11 129.97 45.88 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.634 1.209 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.3 p -122.73 10.38 9.63 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.539 1.15 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -87.87 33.86 0.72 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -19.16 13.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.442 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 t -69.84 -49.0 56.81 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.36 -38.39 89.93 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.557 1.161 . . . . 0.0 109.206 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -73.45 -26.04 60.76 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 124.367 1.042 . . . . 0.0 110.43 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.8 -38.8 45.76 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 68' ' ' GLY . 1.2 mm-40 -68.06 -47.76 67.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 110.115 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.3 mt -42.14 -28.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.19 65.33 0.31 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.622 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 8.0 mtt180 -50.35 -44.2 81.13 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.605 0.827 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.91 62.26 5.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.612 1.848 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.04 178.04 10.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.407 1.067 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -170.6 -168.8 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.238 0.961 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ASN . 5.6 ptt? -36.11 -55.95 0.76 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.296 0.998 . . . . 0.0 110.946 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -43.82 -45.13 7.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 110.21 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ASN . 2.3 mm-40 -75.09 -37.59 61.48 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.331 1.019 . . . . 0.0 110.097 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.606 ' CD2' ' CE2' ' A' ' 71' ' ' PHE . 55.5 mt -57.91 -42.88 85.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 80' ' ' LEU . 15.1 tt0 -78.26 -13.27 59.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.064 . . . . 0.0 110.238 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -47.61 14.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.35 60.38 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.721 1.263 . . . . 0.0 109.37 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -151.94 162.52 40.93 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.162 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.97 -57.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.585 1.178 . . . . 0.0 109.246 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.546 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -151.79 -175.97 5.44 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.492 1.12 . . . . 0.0 109.913 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 82' ' ' SER . 85.1 m-85 -162.84 -174.59 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.397 1.06 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.68 -44.07 1.69 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -119.26 -139.43 5.99 Favored Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.377 1.048 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -116.25 172.41 7.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 0.732 . . . . 0.0 110.175 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.625 ' CD1' ' CE2' ' A' ' 96' ' ' PHE . 11.5 tt -143.5 151.35 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.424 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -141.32 158.16 44.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.143 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.2 138.31 43.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.326 1.016 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 0.6 OUTLIER -108.53 -174.4 2.51 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.6 pt-20 -31.37 -55.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -149.71 62.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.271 0.982 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.49 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 1.2 pp0? -168.05 164.03 13.57 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.558 1.161 . . . . 0.0 110.398 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.56 118.52 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.403 ' CB ' HG21 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -111.19 163.85 13.48 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.625 ' CE2' ' CD1' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -133.58 146.16 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.742 1.276 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 54.2 p90 -159.76 152.92 21.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 83.2 t80 -115.95 71.88 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -131.17 112.79 13.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.184 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.439 ' HG2' ' CB ' ' A' ' 8' ' ' LEU . 1.2 pttp -55.01 -169.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.287 0.992 . . . . 0.0 109.312 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' LYS . 2.8 t -36.15 135.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.395 1.06 . . . . 0.0 110.463 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.371 1.044 . . . . 0.0 110.95 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 m 60.62 114.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.342 1.026 . . . . 0.0 110.252 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -171.84 85.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.201 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -176.27 150.17 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.622 1.201 . . . . 0.0 109.232 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.84 129.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -160.29 168.74 24.66 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.04 95.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.83 1.331 . . . . 0.0 109.044 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mt -139.59 78.84 1.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.442 1.089 . . . . 0.0 109.057 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 52.7 t-80 -177.12 144.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.525 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' NE2' ' A' ' 9' ' ' HIS . 7.2 p30 -42.77 141.12 1.14 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.397 1.06 . . . . 0.0 109.408 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -132.15 -87.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.072 . . . . 0.0 109.496 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -153.91 127.11 8.45 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.589 1.181 . . . . 0.0 109.217 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.453 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -108.05 163.83 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.375 1.047 . . . . 0.0 109.244 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.5 83.99 0.13 Allowed Glycine 0 CA--C 1.527 0.8 0 O-C-N 124.624 1.202 . . . . 0.0 110.992 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.96 129.15 12.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.341 1.706 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.06 109.93 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.591 1.182 . . . . 0.0 109.48 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -119.64 167.61 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.367 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 158.46 32.56 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.673 1.233 . . . . 0.0 110.256 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.27 107.67 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.397 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.99 -92.05 0.43 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 0.0 111.174 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.57 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.676 0.868 . . . . 0.0 109.137 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -106.65 18.9 21.27 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.577 1.173 . . . . 0.0 109.151 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.4 t -77.55 -10.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 124.627 1.204 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.544 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.3 OUTLIER -76.71 -59.32 0.99 Allowed Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.396 1.06 . . . . 0.0 110.178 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -74.88 -10.49 21.43 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.639 1.863 . . . . 0.0 110.938 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 22' ' ' LEU . 16.4 t -89.92 -43.31 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.376 1.048 . . . . 0.0 109.188 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 24' ' ' GLU . 3.8 tp -70.64 -34.36 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -42.74 70.43 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.686 1.241 . . . . 0.0 110.238 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 m -77.73 -26.37 49.97 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.462 1.101 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -79.63 -22.36 43.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -84.25 -42.61 15.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.665 1.228 . . . . 0.0 110.426 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 pp -65.22 -30.0 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.437 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -36.34 84.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.91 165.85 13.22 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.9 55.81 4.0 Favored 'Trans proline' 0 C--N 1.358 1.046 0 O-C-N 124.623 1.854 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.74 58.49 1.84 Allowed Glycine 0 CA--C 1.527 0.793 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 31.59 1.36 Allowed 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 124.323 0.661 . . . . 0.0 109.297 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 3.2 pt-20 -178.31 59.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.222 0.951 . . . . 0.0 110.268 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 40' ' ' THR . 41.9 mm -120.64 165.16 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.357 1.036 . . . . 0.0 109.432 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.437 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 6.2 m -131.27 113.48 13.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.333 1.021 . . . . 0.0 110.305 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.38 144.99 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.176 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.42 82.08 2.0 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.687 1.242 . . . . 0.0 110.254 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.77 98.03 9.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.625 1.203 . . . . 0.0 109.331 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -79.98 -76.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.313 1.008 . . . . 0.0 110.36 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.01 -46.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.108 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' CD1' ' A' ' 47' ' ' TYR . . . -76.98 -33.38 57.63 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 33.7 m-85 -145.96 177.94 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.5 t -120.07 128.48 75.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.703 1.252 . . . . 0.0 109.378 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 7.4 ttt180 -123.63 156.09 36.49 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.478 1.111 . . . . 0.0 110.205 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 7.7 mt -141.15 168.51 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -148.71 116.47 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.32 1.013 . . . . 0.0 109.333 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.32 -174.5 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.302 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.03 -33.91 24.4 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.92 40.48 0.34 Allowed Glycine 0 CA--C 1.527 0.819 0 O-C-N 124.457 1.098 . . . . 0.0 111.25 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 4.2 pt-20 -178.03 110.78 0.07 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.33 0.665 . . . . 0.0 110.293 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.9 mt -146.95 167.74 23.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 109.215 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.49 123.96 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.353 1.033 . . . . 0.0 109.555 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.08 123.78 43.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 0.0 109.247 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.1 p -119.64 6.38 11.02 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.628 1.205 . . . . 0.0 110.438 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.52 46.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.179 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -21.73 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.269 0.981 . . . . 0.0 109.416 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -70.38 -51.91 26.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.698 1.249 . . . . 0.0 110.608 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' CD1' HG11 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -67.89 -29.11 68.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.694 1.246 . . . . 0.0 109.166 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.11 -24.07 40.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.15 -35.26 31.72 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.562 1.164 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -70.96 -46.19 62.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.346 1.029 . . . . 0.0 110.234 179.845 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.479 ' CD1' HG12 ' A' ' 26' ' ' VAL . 21.5 mt -40.78 -31.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.66 65.3 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.623 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 22.2 mtp180 -51.81 -44.05 89.97 Favored Pre-proline 0 C--N 1.322 -0.618 0 O-C-N 124.525 0.78 . . . . 0.0 110.347 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.0 64.64 6.06 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.414 1.744 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.715 ' CE2' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.88 -169.99 2.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -171.39 -175.52 1.65 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.311 1.007 . . . . 0.0 109.34 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.492 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -49.34 -75.1 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.324 1.015 . . . . 0.0 111.122 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.478 ' HB2' ' CE ' ' A' ' 73' ' ' MET . 1.9 tt0 -38.44 -52.98 1.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.523 1.14 . . . . 0.0 110.49 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -62.28 -39.19 92.12 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.634 1.209 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.715 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -52.31 -52.96 50.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 124.361 1.038 . . . . 0.0 109.362 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 6.9 tt0 -63.11 -15.9 58.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.183 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -90.56 -38.55 10.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.36 1.038 . . . . 0.0 109.316 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -79.29 66.25 4.69 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.581 1.176 . . . . 0.0 109.247 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -146.09 166.58 25.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.622 1.201 . . . . 0.0 109.287 179.723 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.3 -54.1 2.31 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.594 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -170.74 179.53 3.19 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 82' ' ' SER . 42.2 m-85 -164.92 152.85 11.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.635 1.21 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -108.08 -21.91 12.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.453 ' HA3' ' CG1' ' A' ' 13' ' ' VAL . . . -119.78 -160.2 11.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -111.86 168.85 9.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.594 0.82 . . . . 0.0 110.369 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.53 HG22 ' CZ ' ' A' ' 96' ' ' PHE . 1.8 pt -149.8 151.06 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 109.181 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 89' ' ' ALA . 2.3 tt0 -148.34 138.46 22.52 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.329 1.018 . . . . 0.0 110.179 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 88' ' ' GLN . . . -110.46 149.08 30.81 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.258 0.974 . . . . 0.0 109.145 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -120.41 -173.63 2.61 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.398 1.061 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.1 pt-20 -29.72 -61.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 92' ' ' ASP . 9.6 p-10 -146.97 60.86 1.19 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.699 1.25 . . . . 0.0 109.434 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 6.1 pt20 -173.44 179.16 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.353 1.033 . . . . 0.0 110.249 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -160.83 126.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 0.0 109.192 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.21 137.1 54.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.53 ' CZ ' HG22 ' A' ' 87' ' ' ILE . 4.1 m-85 -95.37 156.74 16.19 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -176.84 150.44 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.71 1.256 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -104.91 -20.77 13.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.71 117.88 2.03 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -51.67 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.633 1.208 . . . . 0.0 109.468 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 t -76.58 131.78 39.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.29 0.993 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 O-C-N 124.593 1.183 . . . . 0.0 111.231 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 t -141.38 44.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.443 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -159.72 178.83 9.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.397 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.47 174.7 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.292 0.995 . . . . 0.0 109.389 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -149.58 171.24 16.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.393 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.8 -166.66 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.98 74.95 0.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.371 1.044 . . . . 0.0 109.27 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' ASN . 2.4 pp -173.91 -166.67 0.31 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.624 1.202 . . . . 0.0 109.195 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.519 ' CD2' ' C ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER 68.7 -60.56 0.44 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.497 1.123 . . . . 0.0 109.697 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 5.2 p-10 -163.39 51.99 0.16 Allowed 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 124.558 1.162 . . . . 0.0 109.345 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.69 -63.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.403 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -162.04 176.22 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.603 ' CG2' ' CB ' ' A' ' 52' ' ' ALA . 2.0 m -106.14 132.49 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.421 1.076 . . . . 0.0 109.269 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.07 73.22 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 132.39 15.2 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.648 1.868 . . . . 0.0 110.796 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mm -123.15 139.23 50.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 pt -150.87 161.96 3.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 8.4 ptm180 -99.35 51.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.419 1.074 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -57.79 -161.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.338 1.024 . . . . 0.0 109.187 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.16 46.92 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.254 0.971 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -147.02 -65.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.388 0.699 . . . . 0.0 109.403 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -148.57 21.4 1.04 Allowed 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -78.34 -10.77 13.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 124.516 1.135 . . . . 0.0 109.192 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.544 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.5 mt-10 -74.84 -58.96 1.53 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.326 1.016 . . . . 0.0 110.198 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.9 Cg_endo -75.1 -13.48 21.19 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.501 1.79 . . . . 0.0 110.777 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 63' ' ' LEU . 4.5 t -85.11 -40.92 15.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 124.648 1.217 . . . . 0.0 109.195 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 28' ' ' GLU . 6.8 tp -71.58 -40.66 71.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.293 0.996 . . . . 0.0 109.411 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' N ' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -62.78 -39.75 95.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.352 1.032 . . . . 0.0 110.13 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.0 m -78.73 -31.39 46.35 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.58 58.78 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -87.29 -40.96 14.03 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.544 1.153 . . . . 0.0 110.4 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -63.27 -34.56 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.118 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.32 -39.32 79.1 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -96.14 177.34 1.77 Allowed Pre-proline 0 N--CA 1.449 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.386 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 18.2 Cg_endo -75.09 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.395 1.734 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' PRO . . . 37.71 31.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.407 1.067 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -90.78 33.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 0.762 . . . . 0.0 109.276 -179.852 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.59 46.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' THR . 1.5 mp -144.56 161.46 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.657 1.223 . . . . 0.0 109.178 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 22.7 m -128.6 154.77 45.88 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.444 1.09 . . . . 0.0 110.394 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -117.1 162.5 15.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 124.552 1.158 . . . . 0.0 109.459 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.61 84.98 1.93 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -94.91 122.08 37.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.63 1.206 . . . . 0.0 109.36 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 25.2 tpt180 -94.23 -42.43 8.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.41 1.069 . . . . 0.0 110.245 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 158.68 -65.76 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.381 1.051 . . . . 0.0 110.154 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' ALA . . . -85.72 -60.07 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.14 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 18' ' ' ARG . 54.9 m-85 -75.67 179.34 5.44 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.696 1.247 . . . . 0.0 110.766 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.441 HG22 ' CG1' ' A' ' 23' ' ' VAL . 55.1 t -147.08 125.92 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.626 1.204 . . . . 0.0 109.205 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 20.2 ttt180 -125.67 155.58 40.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.353 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.441 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 12.9 mt -132.83 153.32 37.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 0.0 109.346 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.99 79.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.224 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.603 ' CB ' ' CG2' ' A' ' 13' ' ' VAL . . . -92.26 174.76 7.13 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.637 1.211 . . . . 0.0 109.189 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -90.2 -132.7 0.1 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.49 1.119 . . . . 0.0 110.454 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.566 ' HA2' ' CD2' ' A' ' 98' ' ' PHE . . . -53.67 -96.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.311 1.007 . . . . 0.0 110.783 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -122.6 146.66 47.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.407 0.71 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 52' ' ' ALA . 4.2 mm? -120.47 -173.1 2.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.282 0.989 . . . . 0.0 109.489 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.445 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -147.8 149.19 15.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.4 mt -148.87 129.75 14.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.409 1.068 . . . . 0.0 109.268 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.9 p -117.05 12.67 14.63 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.342 1.026 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.51 32.5 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.41 1.069 . . . . 0.0 110.202 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -56.55 -24.56 47.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.627 1.204 . . . . 0.0 109.19 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 t -73.57 -35.41 65.45 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.294 0.996 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.9 tp -69.49 -43.85 72.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.564 1.165 . . . . 0.0 109.417 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -34.88 66.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.14 . . . . 0.0 110.183 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.62 -38.94 73.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.364 1.04 . . . . 0.0 110.181 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.489 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.2 mt-30 -62.12 -47.71 83.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.668 1.23 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 79.0 mt -39.58 -31.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.782 1.301 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.619 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -158.39 65.89 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.573 1.171 . . . . 0.0 110.92 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 43.1 mtm180 -52.16 -44.01 91.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.85 61.29 5.51 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.35 -160.42 0.84 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.657 1.223 . . . . 0.0 110.989 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.559 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -149.02 -165.17 2.21 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.564 1.165 . . . . 0.0 109.202 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -14.82 59.21 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.477 1.11 . . . . 0.0 110.941 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -58.25 -47.01 84.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' ASN . 2.0 mt-10 -53.99 -31.15 49.99 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.358 1.036 . . . . 0.0 110.188 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.98 -49.97 72.58 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.48 1.113 . . . . 0.0 109.225 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' O ' HD22 ' A' ' 80' ' ' LEU . 6.3 pt-20 -79.91 -18.44 50.54 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.488 1.118 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 79' ' ' ASN . 1.2 mp -85.93 -68.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.163 . . . . 0.0 109.237 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.497 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 94.8 m-20 -71.9 77.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.599 1.187 . . . . 0.0 109.174 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -146.09 163.83 34.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.705 1.253 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.47 -62.87 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.5 1.125 . . . . 0.0 109.124 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.551 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -154.81 -178.16 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.083 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 82' ' ' SER . 33.7 m-85 -169.73 175.79 5.14 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.408 ' CB ' ' HE2' ' A' ' 100' ' ' LYS . . . -116.16 -74.32 0.61 Allowed 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.541 1.15 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.42 -137.16 6.26 Favored Glycine 0 CA--C 1.533 1.196 0 O-C-N 124.566 1.167 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.68 176.93 7.91 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 124.565 0.803 . . . . 0.0 110.289 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.58 ' CG2' ' CZ ' ' A' ' 96' ' ' PHE . 19.4 pt -135.63 155.82 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.733 1.271 . . . . 0.0 109.265 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -135.43 138.37 43.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.254 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.12 131.66 56.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.489 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 5.2 t0 -100.65 -177.53 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.38 1.05 . . . . 0.0 109.146 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.8 pt-20 -33.53 -54.99 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -147.24 60.84 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.743 ' NE2' HH11 ' A' ' 95' ' ' ARG . 0.0 OUTLIER -170.19 170.83 7.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.21 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.437 ' N ' ' OE1' ' A' ' 93' ' ' GLN . 0.2 OUTLIER -150.51 139.52 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.602 1.189 . . . . 0.0 109.376 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.743 HH11 ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -132.96 175.97 8.9 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.333 1.02 . . . . 0.0 110.254 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.58 ' CZ ' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -132.43 160.42 36.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' A' ' 95' ' ' ARG . 98.4 m-85 -148.34 143.27 26.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -85.8 14.35 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.061 . . . . 0.0 110.943 -179.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.84 104.28 16.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.626 1.204 . . . . 0.0 109.236 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.408 ' HE2' ' CB ' ' A' ' 84' ' ' ALA . 7.2 mttt -83.36 -79.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.611 1.195 . . . . 0.0 109.239 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 101' ' ' THR . 9.8 t -79.38 70.77 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.33 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.607 0 O-C-N 124.484 1.115 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.234 0.255 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 12.3 m-20 -139.57 -74.26 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.658 1.224 . . . . 0.0 109.302 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -161.29 128.7 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.175 . . . . 0.0 109.135 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.796 HG13 ' HB2' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -102.22 137.04 31.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.707 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -120.96 77.26 0.32 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.481 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.4 Cg_endo -74.82 122.4 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.42 1.747 . . . . 0.0 111.196 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 49' ' ' ARG . 4.8 mm -116.74 126.43 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.93 150.66 16.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 O-C-N 124.856 1.347 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -52.43 165.23 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 0.0 110.411 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . -108.0 165.34 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.95 -87.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -177.95 155.15 0.96 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.552 0.795 . . . . 0.0 109.173 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.4 mp 67.8 16.69 9.73 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.697 1.248 . . . . 0.0 109.251 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.411 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -81.16 -12.73 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.491 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -74.26 -57.65 2.16 Favored Pre-proline 0 N--CA 1.45 -0.438 0 O-C-N 124.355 1.034 . . . . 0.0 110.138 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.8 Cg_endo -75.05 -15.34 20.69 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 124.409 1.742 . . . . 0.0 111.011 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.114 HG13 HD21 ' A' ' 63' ' ' LEU . 6.5 t -83.62 -42.1 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 24' ' ' GLU . 8.6 tp -67.22 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.376 1.047 . . . . 0.0 109.162 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.953 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -65.39 -39.35 92.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.41 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 m -79.3 -26.12 42.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.76 1.287 . . . . 0.0 110.507 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.32 -16.6 48.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.2 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -89.16 -36.53 15.63 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.1 pp -70.94 -31.31 44.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.176 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -58.61 -26.84 64.11 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.488 1.117 . . . . 0.0 109.211 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -115.79 146.21 36.36 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.486 1.116 . . . . 0.0 109.402 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 55.62 4.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.621 1.853 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' CA ' HD13 ' A' ' 39' ' ' ILE . . . -95.41 61.53 1.49 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.02 46.13 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.525 0.779 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.55 ' C ' HD12 ' A' ' 39' ' ' ILE . 6.4 pt-20 179.49 49.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.387 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.55 HD12 ' C ' ' A' ' 38' ' ' GLU . 2.6 mp -130.12 163.87 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.4 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.493 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 5.6 m -132.86 143.14 49.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 42' ' ' GLU . 85.7 t -112.12 163.31 9.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' HG12 ' A' ' 41' ' ' VAL . 3.2 mt-10 -147.28 70.77 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.576 ' OD1' HG13 ' A' ' 48' ' ' VAL . 29.5 m-20 -93.16 109.07 20.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 109.228 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 15.9 tpt180 -81.39 -57.28 3.55 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.541 1.151 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 162.66 -47.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.237 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -76.65 -41.99 43.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 109.413 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -128.7 167.57 17.04 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.578 1.174 . . . . 0.0 111.166 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.576 HG13 ' OD1' ' A' ' 43' ' ' ASP . 47.3 t -123.78 117.36 50.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.365 1.041 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HB2' HD12 ' A' ' 16' ' ' ILE . 27.1 ttt180 -119.79 148.95 42.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.33 1.018 . . . . 0.0 110.387 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 51' ' ' ALA . 18.1 mt -134.42 168.55 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.234 0.959 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.489 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -145.28 82.24 1.65 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.75 1.281 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -88.06 178.8 6.55 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.421 1.076 . . . . 0.0 109.205 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.3 tt0 -68.11 -54.43 18.19 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.522 ' H ' HD21 ' A' ' 56' ' ' LEU . . . 161.76 -50.68 0.34 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.308 1.005 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.654 ' O ' HD13 ' A' ' 56' ' ' LEU . 30.8 tt0 -99.43 96.12 7.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 0.818 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 55' ' ' GLU . 2.0 mm? -126.9 164.72 20.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 0.0 109.374 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.914 ' O ' HD12 ' A' ' 57' ' ' ILE . 2.7 pp -148.54 116.83 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.65 140.96 42.87 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.639 1.212 . . . . 0.0 109.443 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.4 p -129.82 14.47 5.86 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.649 1.218 . . . . 0.0 110.333 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.05 33.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.508 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -22.11 61.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.672 1.232 . . . . 0.0 109.26 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -69.81 -48.17 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.399 1.062 . . . . 0.0 110.307 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.114 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -63.16 -34.12 76.95 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.605 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.72 -22.13 47.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.725 1.265 . . . . 0.0 110.245 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -37.75 26.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.456 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.482 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -65.04 -40.3 94.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 110.353 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 26' ' ' VAL . 35.3 mt -42.21 -28.43 0.19 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.275 0.984 . . . . 0.0 109.166 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.611 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.18 65.6 0.3 Allowed Glycine 0 CA--C 1.532 1.151 0 O-C-N 124.527 1.142 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.621 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 35.1 mtm180 -53.53 -43.56 95.98 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.622 0.836 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 17.9 Cg_endo -74.96 62.37 5.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.645 1.866 . . . . 0.0 111.109 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.16 -157.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.6 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -140.61 -166.25 2.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.562 1.164 . . . . 0.0 109.502 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.561 ' HA ' HD13 ' A' ' 76' ' ' LEU . 28.0 mtt -89.83 -17.34 28.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.434 1.083 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.77 -28.95 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.383 1.052 . . . . 0.0 110.225 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.58 -35.09 78.35 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.326 1.016 . . . . 0.0 110.136 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 73' ' ' MET . 3.9 mp -61.49 -59.43 5.24 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.833 ' O ' HD22 ' A' ' 80' ' ' LEU . 50.4 tt0 -61.58 -13.49 22.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 110.15 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -87.36 -44.1 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.404 1.065 . . . . 0.0 109.321 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.503 ' O ' HD12 ' A' ' 80' ' ' LEU . 43.1 m-20 -70.73 60.84 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.536 1.147 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.833 HD22 ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -118.05 141.94 47.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.47 -52.24 1.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.539 1.149 . . . . 0.0 109.391 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.418 ' N ' ' HB ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -166.12 170.99 12.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.66 1.225 . . . . 0.0 110.055 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -153.84 172.82 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.646 1.216 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.707 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -131.13 -45.14 1.02 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.348 1.03 . . . . 0.0 109.407 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.0 -146.26 10.12 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -111.2 177.07 4.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.442 0.731 . . . . 0.0 110.271 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.888 HD13 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -159.95 148.19 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 124.63 1.206 . . . . 0.0 109.376 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.888 ' N ' HD13 ' A' ' 87' ' ' ILE . 28.6 mt-30 -143.17 117.87 9.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 110.367 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -96.16 151.3 19.61 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' CD ' ' A' ' 93' ' ' GLN . 10.0 t70 -119.15 -176.31 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 90' ' ' ASP . 6.2 pt-20 -34.15 -52.51 0.46 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.555 1.16 . . . . 0.0 110.197 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -149.72 59.75 1.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.349 1.031 . . . . 0.0 109.143 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.492 ' NE2' ' NE ' ' A' ' 95' ' ' ARG . 1.6 pt20 -163.63 164.99 23.86 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 124.596 1.185 . . . . 0.0 110.222 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.585 HG13 HD11 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -142.24 112.95 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.668 1.23 . . . . 0.0 109.316 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.492 ' NE ' ' NE2' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -110.79 132.8 53.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.601 1.188 . . . . 0.0 110.421 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.11 138.25 44.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.657 1.223 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 95' ' ' ARG . 46.2 m-85 -140.57 132.66 27.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.796 ' HB2' HG13 ' A' ' 13' ' ' VAL . 3.6 t80 -88.2 -25.69 22.78 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.309 1.006 . . . . 0.0 109.477 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -139.31 -48.59 0.48 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.707 1.254 . . . . 0.0 109.246 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 52' ' ' ALA . 9.3 t-20 179.94 147.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.271 0.982 . . . . 0.0 109.42 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.763 HG12 ' HA3' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -114.38 166.07 8.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.807 1.317 . . . . 0.0 109.494 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -156.2 85.28 0.13 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.271 0.982 . . . . 0.0 111.208 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' HD13 ' A' ' 16' ' ' ILE . 19.0 Cg_endo -74.8 130.72 13.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.544 1.813 . . . . 0.0 111.062 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 17' ' ' ILE . 8.9 mm -116.99 138.33 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 16' ' ' ILE . 4.3 pt -157.45 -173.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.382 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -167.14 1.04 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.724 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -167.11 154.18 8.73 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.04 64.4 0.27 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.591 1.182 . . . . 0.0 111.016 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -179.61 -147.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.643 0.849 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 mm? -89.64 27.71 1.45 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.436 1.085 . . . . 0.0 109.131 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.52 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.5 t -74.71 -9.47 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.728 1.267 . . . . 0.0 109.468 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.58 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.7 mt-10 -77.03 -60.81 0.75 Allowed Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.418 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.2 Cg_endo -75.02 -9.75 20.88 Favored 'Trans proline' 0 C--N 1.357 1.0 0 O-C-N 124.624 1.855 . . . . 0.0 110.973 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.033 HG13 HD21 ' A' ' 63' ' ' LEU . 23.9 t -90.16 -44.23 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.014 HD11 HD11 ' A' ' 50' ' ' ILE . 7.9 tp -70.11 -38.78 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 O-C-N 124.409 1.068 . . . . 0.0 109.213 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -66.44 -45.03 81.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.0 m -73.93 -29.82 62.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.36 1.038 . . . . 0.0 110.45 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -74.95 -14.67 60.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.617 1.198 . . . . 0.0 109.204 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.26 -43.1 11.82 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.75 ' C ' HD12 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -66.81 -24.18 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.712 1.258 . . . . 0.0 109.152 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.62 -41.55 90.68 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 56' ' ' LEU . 6.3 t30 -98.86 141.71 23.36 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.315 1.009 . . . . 0.0 109.071 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 54.27 3.56 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.403 1.738 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.46 60.35 1.54 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.706 1.254 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 56.68 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.602 0.824 . . . . 0.0 109.133 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 179.08 43.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.75 HD11 HD21 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -125.66 154.91 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.9 m -125.48 121.46 33.81 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.314 1.009 . . . . 0.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG22 HG23 ' A' ' 50' ' ' ILE . 84.9 t -91.22 149.69 4.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 124.462 1.102 . . . . 0.0 109.135 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.422 ' CB ' ' HG2' ' A' ' 49' ' ' ARG . 4.5 mt-10 -133.05 77.5 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.796 1.31 . . . . 0.0 110.41 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.61 100.37 12.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.652 1.22 . . . . 0.0 109.385 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -81.16 -71.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.655 1.222 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.04 -42.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.18 30.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.635 1.21 . . . . 0.0 109.474 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -136.72 169.8 17.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.721 1.263 . . . . 0.0 111.025 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' A' ' 19' ' ' ALA . 3.3 t -123.6 126.26 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.053 . . . . 0.0 109.064 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.422 ' HG2' ' CB ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -134.45 154.54 51.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.614 1.196 . . . . 0.0 110.42 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.014 HD11 HD11 ' A' ' 27' ' ' ILE . 2.7 mt -133.83 175.71 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.631 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -150.43 123.38 8.74 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.604 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -135.39 -175.44 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.598 1.186 . . . . 0.0 109.394 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -32.9 48.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.397 1.061 . . . . 0.0 110.359 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.423 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . 115.44 50.39 0.45 Allowed Glycine 0 CA--C 1.527 0.838 0 O-C-N 124.388 1.055 . . . . 0.0 111.083 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -178.46 87.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.448 0.734 . . . . 0.0 110.236 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 39' ' ' ILE . 1.2 mt -134.57 176.1 8.94 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.819 1.324 . . . . 0.0 109.403 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.775 HD13 ' C ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -157.08 103.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.555 1.16 . . . . 0.0 109.257 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.461 ' HB2' HG23 ' A' ' 94' ' ' ILE . 3.8 mt -92.68 150.61 20.58 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.605 1.19 . . . . 0.0 109.3 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.0 p -134.88 8.96 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.281 0.988 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -84.18 45.46 1.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.681 1.238 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.28 -24.48 64.87 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.634 1.209 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -72.09 -34.46 68.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.469 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.033 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -70.12 -42.47 72.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.767 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -76.18 -25.81 55.58 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.16 -37.06 39.33 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.462 1.102 . . . . 0.0 110.101 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -69.84 -46.76 64.89 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 124.557 1.161 . . . . 0.0 110.393 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 26' ' ' VAL . 30.5 mt -42.75 -28.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.415 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.603 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.75 65.36 0.31 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.559 1.162 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 29.2 mtp180 -53.8 -43.51 96.46 Favored Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.628 0.84 . . . . 0.0 110.44 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.82 62.18 5.65 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.414 1.744 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.63 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.23 -159.07 0.67 Allowed 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.68 1.237 . . . . 0.0 110.903 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.585 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -151.24 -165.13 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -80.72 -10.87 59.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.4 -36.47 84.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.99 -25.36 63.57 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.36 -54.03 39.35 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.533 1.146 . . . . 0.0 109.131 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.774 ' O ' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.45 -30.56 69.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.608 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -69.57 -60.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.608 ' N ' HG22 ' A' ' 78' ' ' ILE . 23.8 m-20 -71.1 81.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.816 ' C ' HD23 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -162.57 173.78 13.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.344 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.64 -66.27 0.84 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -159.45 -165.25 1.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.405 ' CG ' ' O ' ' A' ' 82' ' ' SER . 41.5 m-85 -162.15 160.05 26.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.44 1.088 . . . . 0.0 110.919 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -123.11 7.18 9.18 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.763 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -150.69 -156.71 7.46 Favored Glycine 0 CA--C 1.533 1.171 0 O-C-N 124.225 0.953 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.14 165.74 11.37 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.517 0.775 . . . . 0.0 110.445 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 94' ' ' ILE . 8.8 tt -152.2 147.13 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.667 1.229 . . . . 0.0 109.239 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.71 168.67 19.25 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.604 1.19 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.02 130.29 31.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.431 1.082 . . . . 0.0 109.164 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.483 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 2.8 t70 -103.97 -179.46 3.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.731 1.27 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 90' ' ' ASP . 9.5 pt-20 -33.51 -51.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.639 1.212 . . . . 0.0 110.213 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -151.17 61.77 0.9 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.57 1.169 . . . . 0.0 109.132 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.483 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -170.62 174.01 5.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.34 1.025 . . . . 0.0 110.368 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 87' ' ' ILE . 2.1 tt -141.8 105.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.8 149.2 24.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.231 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.791 ' CZ ' HD12 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -131.08 147.78 52.66 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.426 1.079 . . . . 0.0 110.902 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -176.86 165.74 2.47 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.66 ' HB2' HG13 ' A' ' 13' ' ' VAL . 16.5 t80 -114.73 -28.41 7.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.424 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -149.1 -88.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.719 1.262 . . . . 0.0 109.127 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -149.92 151.02 32.74 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.542 1.151 . . . . 0.0 109.398 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -130.26 160.28 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.705 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -151.94 82.84 0.17 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.4 1.062 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 116.37 4.56 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.56 1.821 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.624 HG22 ' HB3' ' A' ' 81' ' ' ALA . 8.2 mm -100.87 108.72 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.31 172.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 124.389 1.056 . . . . 0.0 109.501 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.78 160.39 30.04 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.359 1.037 . . . . 0.0 110.178 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.599 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -99.63 151.35 21.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.394 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.03 -90.89 0.1 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -177.3 150.3 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.454 0.738 . . . . 0.0 109.545 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER 66.54 18.1 10.74 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 124.418 1.074 . . . . 0.0 109.482 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.92 -9.65 12.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -78.25 -58.0 0.86 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.392 1.057 . . . . 0.0 110.274 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.7 Cg_endo -75.2 -12.83 21.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.649 1.868 . . . . 0.0 110.866 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.959 HG21 HD21 ' A' ' 67' ' ' LEU . 15.1 t -87.04 -43.67 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 27' ' ' ILE . 8.0 tp -68.97 -43.34 82.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.61 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -62.05 -43.11 99.53 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.2 m -72.43 -33.86 67.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.38 -15.67 62.38 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.501 1.125 . . . . 0.0 109.241 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -84.27 -38.0 21.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.377 1.048 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.61 HG23 ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -70.13 -24.82 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.474 1.109 . . . . 0.0 109.447 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -66.22 -25.03 66.72 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.74 168.93 10.75 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.257 0.973 . . . . 0.0 109.242 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 54.03 3.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.822 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.26 61.32 1.54 Allowed Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.502 1.126 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.27 39.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.697 0.881 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 179.4 37.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 39' ' ' ILE . 20.9 mm -87.97 147.59 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.171 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -128.55 112.49 14.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.71 1.256 . . . . 0.0 110.457 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 42' ' ' GLU . 30.8 t -96.54 163.07 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.393 1.058 . . . . 0.0 109.372 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -153.59 97.52 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -78.24 109.68 12.57 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.3 tpm_? -80.45 -69.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.343 1.027 . . . . 0.0 110.288 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 161.16 -55.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.53 -35.66 22.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -135.85 165.9 24.56 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.687 1.242 . . . . 0.0 111.002 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.599 HG23 ' HA ' ' A' ' 19' ' ' ALA . 41.0 t -104.15 136.73 36.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 124.569 1.168 . . . . 0.0 109.224 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -122.42 136.37 54.88 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.505 1.128 . . . . 0.0 110.208 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 51' ' ' ALA . 5.9 mt -127.43 168.31 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.526 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -144.23 128.9 18.2 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.583 1.177 . . . . 0.0 109.37 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.872 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -130.38 -172.92 2.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.595 1.184 . . . . 0.0 109.554 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -83.32 -46.13 12.97 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.515 1.134 . . . . 0.0 110.182 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.09 -51.83 0.29 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.532 1.145 . . . . 0.0 111.093 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.82 121.2 43.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 0.782 . . . . 0.0 110.181 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.872 HD11 ' CB ' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -137.13 173.21 11.93 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.425 1.078 . . . . 0.0 109.238 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.509 HD13 ' C ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -158.28 132.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.401 1.063 . . . . 0.0 109.442 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.427 ' C ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -134.35 158.26 44.26 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.64 1.213 . . . . 0.0 109.5 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.427 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 22.0 p -149.73 19.4 0.91 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.359 1.037 . . . . 0.0 110.212 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -87.55 46.21 1.36 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.444 1.09 . . . . 0.0 110.231 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -18.32 51.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.322 1.014 . . . . 0.0 109.444 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.6 t -74.1 -47.34 36.96 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.408 1.067 . . . . 0.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.84 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.07 -38.46 90.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.747 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -73.6 -33.29 64.53 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.612 1.195 . . . . 0.0 110.349 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.13 -39.76 71.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -65.72 -49.36 68.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 124.33 1.019 . . . . 0.0 110.353 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.959 HD21 HG21 ' A' ' 26' ' ' VAL . 12.2 mt -42.86 -27.77 0.21 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.622 1.201 . . . . 0.0 109.188 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.83 65.19 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.376 1.048 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.1 mtt-85 -53.83 -43.46 96.43 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.547 0.792 . . . . 0.0 110.416 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.1 Cg_endo -74.93 62.16 5.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.635 1.861 . . . . 0.0 111.067 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.15 -157.73 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 110.958 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.588 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -163.58 -169.83 2.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -75.12 -14.25 60.55 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 124.693 1.246 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -44.77 95.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.417 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 2.1 mt-10 -63.3 -32.98 74.54 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.517 1.135 . . . . 0.0 110.199 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 76' ' ' LEU . 0.7 OUTLIER -55.92 -48.56 75.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.624 ' O ' HD21 ' A' ' 80' ' ' LEU . 14.9 tt0 -51.38 -32.66 26.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.279 0.987 . . . . 0.0 110.279 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 78' ' ' ILE . 0.5 OUTLIER -89.82 -30.77 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 75' ' ' GLU . 19.1 m120 -70.2 60.52 0.19 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 124.488 1.117 . . . . 0.0 109.197 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.624 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -159.43 80.44 0.74 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.725 1.266 . . . . 0.0 109.428 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.624 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -50.85 -41.81 58.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.783 1.302 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.478 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -166.57 -170.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.191 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 80' ' ' LEU . 11.2 m-85 -163.33 151.83 13.95 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.625 1.203 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.705 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -109.28 -16.95 13.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.329 1.018 . . . . 0.0 109.402 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.22 -138.84 3.66 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.507 1.129 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -122.4 156.94 32.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.666 0.863 . . . . 0.0 110.314 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 1.039 HD11 HD11 ' A' ' 94' ' ' ILE . 7.5 tt -131.4 158.37 43.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -143.41 169.14 18.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.469 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.32 138.52 25.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.213 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.477 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 2.5 t70 -108.93 179.66 4.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.49 -47.84 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.115 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.54 64.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.162 . . . . 0.0 109.337 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.477 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -173.28 167.14 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.624 1.203 . . . . 0.0 110.245 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.039 HD11 HD11 ' A' ' 87' ' ' ILE . 1.4 tt -142.92 122.21 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.706 1.254 . . . . 0.0 109.341 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.37 167.82 13.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 1.186 . . . . 0.0 110.219 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.901 ' CZ ' HD12 ' A' ' 87' ' ' ILE . 25.5 m-85 -129.41 157.15 42.76 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.429 1.081 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 8.9 p90 -163.88 129.67 3.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.68 1.237 . . . . 0.0 110.975 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -90.66 -28.28 18.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.35 1.031 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.564 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 10.3 m-20 -161.68 -69.74 0.06 Allowed 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.426 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 52' ' ' ALA . 1.8 p30 -172.9 146.69 1.58 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.609 1.193 . . . . 0.0 109.196 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 53' ' ' GLU . 1.8 m -102.39 138.08 27.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.67 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -126.76 78.28 0.38 Allowed Glycine 0 CA--C 1.527 0.844 0 O-C-N 124.339 1.025 . . . . 0.0 111.072 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.876 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.4 Cg_endo -75.14 137.81 21.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.876 HD13 ' O ' ' A' ' 15' ' ' PRO . 5.7 mm -126.38 127.79 70.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.603 HG22 ' HA ' ' A' ' 80' ' ' LEU . 2.9 pt -141.26 -161.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 109.425 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -111.85 163.27 14.38 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.255 0.972 . . . . 0.0 110.347 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.433 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -84.99 106.36 16.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 1.128 . . . . 0.0 109.215 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.14 -85.98 0.96 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.681 1.238 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.96 130.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 0.0 109.208 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER 66.16 20.99 11.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.412 1.07 . . . . 0.0 109.496 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.787 HG11 HG21 ' A' ' 48' ' ' VAL . 1.3 t -78.81 -12.14 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.398 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.526 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -74.67 -58.25 1.78 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.772 1.295 . . . . 0.0 110.484 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.526 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.8 Cg_endo -75.09 -13.0 21.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.61 1.847 . . . . 0.0 111.014 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.004 HG13 HD21 ' A' ' 63' ' ' LEU . 5.9 t -86.09 -40.31 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 O-C-N 124.369 1.043 . . . . 0.0 109.445 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 24' ' ' GLU . 8.8 tp -73.25 -43.52 56.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.874 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.23 -37.21 86.33 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.671 1.232 . . . . 0.0 110.421 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.3 m -81.87 -28.56 32.91 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.32 1.012 . . . . 0.0 110.336 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -77.95 -17.05 57.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.12 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.729 ' OE2' HG21 ' A' ' 39' ' ' ILE . 6.4 mm-40 -87.1 -40.52 14.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.683 1.239 . . . . 0.0 110.377 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 28' ' ' GLU . 8.3 pt -64.97 -34.08 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.377 1.048 . . . . 0.0 109.342 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.494 ' OD1' ' CZ ' ' A' ' 60' ' ' ARG . 19.4 t0 -47.58 -26.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.423 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.41 158.85 43.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.223 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 53.35 3.37 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.463 1.77 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.85 61.29 1.4 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 50.23 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.23 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 178.95 51.23 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 124.418 1.073 . . . . 0.0 110.327 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.729 HG21 ' OE2' ' A' ' 31' ' ' GLU . 21.1 mt -117.1 144.44 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.661 1.226 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.9 m -116.91 111.92 20.32 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.568 1.167 . . . . 0.0 110.359 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -92.3 158.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.338 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.36 72.08 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.549 1.156 . . . . 0.0 110.215 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -93.03 111.12 22.64 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 4.8 tpt180 -81.04 -60.19 2.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.428 1.08 . . . . 0.0 110.299 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 160.16 -50.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.375 1.047 . . . . 0.0 110.324 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 47' ' ' TYR . . . -79.28 -22.26 44.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.38 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 18.9 m-85 -144.22 174.54 10.8 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.26 0.975 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.787 HG21 HG11 ' A' ' 23' ' ' VAL . 64.2 t -129.11 128.98 67.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 59.8 ttt-85 -128.14 157.26 41.27 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.407 1.067 . . . . 0.0 110.276 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 43.1 mt -145.97 161.0 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 124.768 1.292 . . . . 0.0 109.181 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -166.55 122.12 1.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.772 1.295 . . . . 0.0 109.009 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' A' ' 12' ' ' ASN . . . -174.19 -169.53 0.47 Allowed 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 124.375 1.047 . . . . 0.0 109.234 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.591 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -38.98 153.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.08 49.01 0.98 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.684 1.24 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -173.41 85.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.136 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 175.81 8.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.596 HD13 ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -151.87 140.13 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.596 ' N ' HD13 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -130.09 161.0 32.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 124.413 1.07 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.414 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 31.4 p -150.28 20.06 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.618 1.199 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.494 ' CZ ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -87.73 42.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 110.476 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.06 64.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.48 -34.19 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.245 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.004 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -70.54 -46.57 63.34 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.562 1.164 . . . . 0.0 109.548 179.778 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -67.54 -37.56 82.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' ARG . 4.9 mt-10 -68.05 -41.07 82.58 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 mt-30 -63.0 -51.03 68.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 110.144 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 64' ' ' GLU . 21.6 mt -41.73 -28.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.351 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.67 65.84 0.3 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 8.1 mtm180 -53.95 -43.43 96.68 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 124.418 0.717 . . . . 0.0 110.186 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 17.8 Cg_endo -75.09 61.82 5.81 Favored 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.672 1.88 . . . . 0.0 110.866 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.03 -160.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 0.0 111.007 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.586 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -144.78 -165.27 2.11 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -14.42 49.01 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.47 1.106 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.45 -33.41 74.77 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.606 1.191 . . . . 0.0 110.293 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.98 -28.69 65.74 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.38 1.05 . . . . 0.0 110.305 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.5 -52.0 65.2 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.67 -11.52 60.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.98 -44.13 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.679 1.237 . . . . 0.0 109.412 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.09 62.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.688 1.243 . . . . 0.0 109.207 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 80' ' ' LEU . 1.1 pp -151.85 154.4 36.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.87 -57.21 2.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.492 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -157.95 -166.05 1.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 110.057 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 82' ' ' SER . 42.1 m-85 -163.59 157.23 19.22 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.416 1.072 . . . . 0.0 111.099 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -110.03 -2.73 16.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.227 0.954 . . . . 0.0 109.4 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.12 -144.76 4.0 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.485 1.116 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -120.65 165.92 14.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.682 0.871 . . . . 0.0 110.335 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -147.61 134.5 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.742 1.276 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -127.2 157.67 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.388 1.055 . . . . 0.0 110.101 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.09 142.17 51.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.397 1.061 . . . . 0.0 109.416 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 93' ' ' GLN . 4.1 t0 -105.31 -177.74 3.45 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.666 1.228 . . . . 0.0 109.299 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.56 -49.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -153.35 61.46 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.365 1.041 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.464 ' CD ' ' CB ' ' A' ' 90' ' ' ASP . 1.2 pt20 -168.7 167.44 11.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.408 1.068 . . . . 0.0 110.097 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.552 HG23 HD12 ' A' ' 58' ' ' LEU . 1.2 tp -138.16 122.81 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.468 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.95 144.72 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.396 1.06 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -115.94 146.95 41.65 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -165.82 162.22 18.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.564 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 51.4 t80 -131.74 83.3 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.579 0 O-C-N 124.526 1.141 . . . . 0.0 109.145 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -144.32 -78.57 0.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' ALA . 16.5 p-10 -158.19 127.14 5.62 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.534 1.146 . . . . 0.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.008 HG22 ' HB3' ' A' ' 52' ' ' ALA . 3.5 m -89.69 177.03 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.658 1.224 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.747 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -172.41 71.44 0.1 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.302 1.001 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.538 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.3 Cg_endo -75.18 135.5 18.84 Favored 'Trans proline' 0 C--N 1.362 1.258 0 O-C-N 124.362 1.717 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.538 HD13 ' O ' ' A' ' 15' ' ' PRO . 9.3 mm -124.8 140.9 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 124.386 1.053 . . . . 0.0 109.1 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 16' ' ' ILE . 11.4 pt -153.71 -171.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.209 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.58 153.31 20.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -71.43 129.46 38.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.078 . . . . 0.0 109.436 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.29 -87.94 2.02 Favored Glycine 0 CA--C 1.528 0.866 0 O-C-N 124.693 1.246 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -179.95 134.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.3 mt 66.21 19.69 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.394 1.058 . . . . 0.0 109.536 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.62 HG11 HG21 ' A' ' 48' ' ' VAL . 1.4 t -79.11 -9.54 12.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.51 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -79.58 -57.7 0.69 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.294 0.996 . . . . 0.0 110.356 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -75.03 -11.28 21.41 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.244 1.655 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.038 HG13 HD11 ' A' ' 63' ' ' LEU . 22.1 t -89.88 -44.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.518 1.136 . . . . 0.0 109.488 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' VAL . 5.0 tp -68.36 -32.35 55.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -73.43 -41.67 62.97 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.424 1.077 . . . . 0.0 110.202 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 m -77.57 -24.39 49.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.625 1.203 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.51 -32.29 36.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.455 1.097 . . . . 0.0 109.397 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.639 ' OE2' HG21 ' A' ' 39' ' ' ILE . 13.0 mm-40 -70.2 -44.69 68.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.337 1.023 . . . . 0.0 110.229 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 28' ' ' GLU . 21.6 pt -61.22 -40.91 87.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.408 1.067 . . . . 0.0 109.38 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 32' ' ' ILE . 7.8 t70 -52.11 -27.63 14.79 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.417 1.073 . . . . 0.0 109.465 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -112.06 156.84 41.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 47.99 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.405 1.739 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.51 59.96 1.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.59 43.04 1.08 Allowed 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 124.607 0.828 . . . . 0.0 109.393 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.27 38.83 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.584 1.178 . . . . 0.0 110.156 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.666 ' CD1' HD11 ' A' ' 56' ' ' LEU . 11.6 mm -94.23 150.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.434 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -112.42 112.11 23.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.398 1.061 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.9 t -112.46 146.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -130.9 68.67 1.48 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -82.96 105.09 13.68 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 20.6 tpt180 -80.24 -58.19 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.136 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 162.33 -48.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.32 -31.07 25.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.396 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -126.03 171.65 10.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.62 HG21 HG11 ' A' ' 23' ' ' VAL . 90.1 t -131.51 105.3 10.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 124.526 1.141 . . . . 0.0 109.233 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -97.97 149.89 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.675 1.235 . . . . 0.0 110.271 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 51' ' ' ALA . 27.6 mt -145.24 162.2 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 O-C-N 124.408 1.067 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -157.92 154.78 28.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.62 1.2 . . . . 0.0 109.387 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.008 ' HB3' HG22 ' A' ' 13' ' ' VAL . . . -145.42 151.25 37.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.18 50.47 1.86 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.536 1.148 . . . . 0.0 110.195 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.78 -83.36 0.2 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.618 1.199 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -161.02 177.5 10.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.708 0.887 . . . . 0.0 110.22 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 39' ' ' ILE . 87.6 mt -151.26 -175.09 5.03 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.362 1.039 . . . . 0.0 109.255 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.5 tp -149.54 127.45 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.263 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.643 ' HB2' HG23 ' A' ' 94' ' ' ILE . 0.7 OUTLIER -121.19 138.65 54.11 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.618 1.199 . . . . 0.0 109.431 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.3 p -133.74 8.16 3.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.61 40.2 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.199 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -23.58 44.63 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.566 1.166 . . . . 0.0 109.389 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -72.64 -41.63 65.29 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 124.243 0.964 . . . . 0.0 110.403 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.038 HD11 HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -66.72 -33.02 74.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.352 1.032 . . . . 0.0 109.426 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.696 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -84.76 -20.78 30.51 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.566 1.166 . . . . 0.0 110.261 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.64 -33.12 23.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.2 mt-30 -76.76 -45.33 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.608 1.192 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 26' ' ' VAL . 20.7 mt -44.53 -26.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -154.77 64.99 0.33 Allowed Glycine 0 CA--C 1.533 1.159 0 O-C-N 124.438 1.086 . . . . 0.0 110.926 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.637 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 28.6 mtm105 -55.61 -42.85 98.16 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.558 0.799 . . . . 0.0 110.2 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.95 62.42 5.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.701 1.895 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.14 -159.15 0.74 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 110.956 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.55 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.23 -160.5 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 109.185 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.7 ptp -75.15 -20.48 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.35 1.031 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.97 -58.5 7.9 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.594 1.184 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.46 -33.28 20.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.34 1.025 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.09 -52.26 66.28 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.582 1.176 . . . . 0.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.744 ' O ' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -80.52 -28.08 37.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.691 1.245 . . . . 0.0 110.365 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.643 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.5 OUTLIER -70.34 -64.14 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.665 1.228 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.643 ' N ' HG22 ' A' ' 78' ' ' ILE . 97.1 m-20 -72.61 85.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.792 ' C ' HD23 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -160.34 170.05 21.86 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.635 1.209 . . . . 0.0 109.321 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.96 -71.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.441 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -151.98 -162.92 1.62 Allowed 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 124.563 1.164 . . . . 0.0 109.996 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 82' ' ' SER . 40.4 m-85 -166.54 167.88 15.15 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.747 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -116.61 -38.83 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.23 -155.05 10.41 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.58 1.175 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -108.92 165.31 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 110.174 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.502 ' CG2' ' CE1' ' A' ' 96' ' ' PHE . 5.8 pt -136.96 147.3 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 O-C-N 124.517 1.136 . . . . 0.0 109.144 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -142.27 152.54 43.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.49 132.51 51.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 109.246 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.489 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 17.3 t0 -101.41 -176.74 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.635 1.209 . . . . 0.0 109.225 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -33.93 -46.16 0.22 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.502 1.127 . . . . 0.0 110.198 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.05 60.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.394 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 2.2 pt20 -166.77 170.07 12.75 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.643 HG23 ' HB2' ' A' ' 58' ' ' LEU . 4.4 tt -143.35 104.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.377 1.048 . . . . 0.0 109.253 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 140.48 30.02 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.502 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 2.5 m-30 -117.61 147.39 42.9 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.651 1.219 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 8.6 p90 -171.04 151.46 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.37 1.044 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.812 ' HB2' HG12 ' A' ' 13' ' ' VAL . 56.5 t80 -112.91 92.58 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.64 1.213 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.319 1.012 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.7 p30 . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -157.06 -87.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.45 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -147.63 130.76 16.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 109.409 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.79 HG12 ' HB2' ' A' ' 98' ' ' PHE . 28.0 m -90.22 -177.58 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 O-C-N 124.339 1.024 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' CA ' ' HB3' ' A' ' 84' ' ' ALA . . . -177.06 92.01 0.09 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.44 1.087 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.545 ' O ' HD12 ' A' ' 16' ' ' ILE . 18.0 Cg_endo -75.21 127.37 10.49 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.544 1.813 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.677 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -111.27 89.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 124.463 1.102 . . . . 0.0 109.228 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.5 pt -115.58 -175.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 109.226 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.88 -167.27 1.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . -120.34 97.52 5.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.12 -86.91 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.072 . . . . 0.0 111.05 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -179.88 137.01 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.819 0.952 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER 66.52 18.39 10.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.333 1.021 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.452 HG11 HG21 ' A' ' 48' ' ' VAL . 1.3 t -78.68 -10.56 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.594 1.184 . . . . 0.0 109.389 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.522 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -76.9 -58.55 1.04 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 110.476 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.5 Cg_endo -74.87 -11.93 21.76 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.275 1.671 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.066 HG13 HD21 ' A' ' 63' ' ' LEU . 17.7 t -88.64 -41.46 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.561 HD11 HD13 ' A' ' 50' ' ' ILE . 1.9 tp -72.98 -36.54 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.478 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.791 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -73.0 -33.98 66.13 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.405 ' O ' HG12 ' A' ' 32' ' ' ILE . 95.0 m -83.07 -28.09 29.8 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 124.389 1.055 . . . . 0.0 110.301 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.94 -18.39 56.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.643 1.214 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' OE2' HD12 ' A' ' 39' ' ' ILE . 14.0 mm-40 -84.67 -41.65 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 28' ' ' GLU . 9.8 pt -62.65 -35.68 71.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.309 1.006 . . . . 0.0 109.123 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 32' ' ' ILE . 6.7 t70 -48.74 -26.4 2.32 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.627 1.204 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -117.47 170.19 6.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.87 54.2 3.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.352 1.711 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.36 62.68 1.44 Allowed Glycine 0 CA--C 1.527 0.786 0 O-C-N 124.452 1.095 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 44.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 0.716 . . . . 0.0 109.4 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.39 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.668 HD13 ' CB ' ' A' ' 52' ' ' ALA . 31.6 mm -83.46 149.11 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.2 m -127.5 111.42 13.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.407 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.3 t -101.84 158.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.33 84.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.3 111.21 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 24.0 tpt180 -81.38 -58.75 2.9 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.414 1.071 . . . . 0.0 110.191 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER 158.57 -58.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.428 1.08 . . . . 0.0 110.192 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.781 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -89.83 -38.06 14.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.402 ' HA ' ' N ' ' A' ' 19' ' ' ALA . 6.7 m-85 -115.6 173.97 6.26 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.36 1.037 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.452 HG21 HG11 ' A' ' 23' ' ' VAL . 24.0 t -124.98 131.73 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.354 1.034 . . . . 0.0 109.179 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -124.67 131.38 53.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.43 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.561 HD13 HD11 ' A' ' 27' ' ' ILE . 2.0 mt -125.91 161.87 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.632 1.208 . . . . 0.0 109.373 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -163.93 144.1 8.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.397 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.668 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . 179.8 -171.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.362 1.039 . . . . 0.0 109.446 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.506 ' O ' HG22 ' A' ' 13' ' ' VAL . 2.4 mt-10 -41.71 162.33 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.681 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -103.35 33.84 6.25 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.313 1.008 . . . . 0.0 111.079 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' H ' HD22 ' A' ' 56' ' ' LEU . 13.6 tt0 -163.44 75.0 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.512 0.771 . . . . 0.0 110.159 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.448 HD22 ' H ' ' A' ' 55' ' ' GLU . 2.4 mm? -116.47 177.37 4.72 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.619 1.2 . . . . 0.0 109.238 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -154.41 117.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 109.43 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.64 156.02 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 109.426 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.6 p -147.17 17.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.338 1.024 . . . . 0.0 110.488 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.445 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -89.62 36.43 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.289 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -23.98 63.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.403 1.065 . . . . 0.0 109.406 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -73.1 -41.92 63.53 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.681 1.238 . . . . 0.0 110.471 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.066 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -62.52 -44.28 96.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.217 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.843 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -69.43 -39.54 77.79 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.415 1.072 . . . . 0.0 110.449 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -39.0 91.89 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.476 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -66.28 -47.73 72.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 64' ' ' GLU . 14.6 mt -42.79 -27.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.05 65.3 0.31 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.574 1.172 . . . . 0.0 111.108 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.637 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 44.5 mtp180 -54.05 -43.55 97.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.2 Cg_endo -75.09 62.24 5.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.387 1.73 . . . . 0.0 110.774 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -159.06 -159.95 0.81 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.467 1.104 . . . . 0.0 111.228 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.59 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -142.19 -165.88 2.12 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.294 0.996 . . . . 0.0 109.332 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.1 ttt -82.09 -29.83 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -45.58 -48.17 14.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -48.9 -36.78 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.668 1.23 . . . . 0.0 110.215 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.39 -50.29 72.13 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.389 1.055 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 14.7 tt0 -78.75 -9.72 59.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -90.66 -59.53 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.386 1.054 . . . . 0.0 109.365 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.551 ' N ' HG22 ' A' ' 78' ' ' ILE . 13.7 m120 -70.15 65.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.411 1.069 . . . . 0.0 109.218 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -146.54 163.46 35.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.392 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -131.05 -66.64 0.74 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.407 1.067 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -141.58 -169.08 2.8 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.475 1.109 . . . . 0.0 109.937 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 82' ' ' SER . 8.3 m-85 -165.7 133.22 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.421 ' HB3' ' CA ' ' A' ' 14' ' ' GLY . . . -96.75 29.05 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.409 1.068 . . . . 0.0 109.274 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.59 -174.63 45.75 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.369 1.043 . . . . 0.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -103.97 139.25 39.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.812 0.948 . . . . 0.0 110.197 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.447 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 1.7 pp -121.06 134.54 64.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.499 1.124 . . . . 0.0 109.105 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 22.5 pt20 -126.4 144.35 50.86 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.68 1.238 . . . . 0.0 110.256 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.78 142.66 46.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -119.33 -175.06 2.86 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.174 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 90' ' ' ASP . 3.2 pt-20 -29.59 -59.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -148.39 61.41 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.315 1.01 . . . . 0.0 109.437 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.476 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 13.7 pt20 -171.35 171.59 5.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.298 0.999 . . . . 0.0 110.307 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 4.1 tt -147.22 110.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.624 1.203 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.45 139.43 31.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.429 1.081 . . . . 0.0 110.286 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.447 ' CZ ' HG21 ' A' ' 87' ' ' ILE . 4.5 m-85 -110.4 145.03 38.28 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.41 1.069 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 9.4 p90 -170.62 142.39 2.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 0.0 111.119 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.79 ' HB2' HG12 ' A' ' 13' ' ' VAL . 15.1 t80 -113.34 82.04 1.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.424 1.078 . . . . 0.0 109.413 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.516 ' ND2' ' CZ ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -126.79 -48.2 1.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.9 p30 179.95 142.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.071 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 52' ' ' ALA . 8.3 m -98.71 170.62 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 124.398 1.061 . . . . 0.0 109.285 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.4 87.62 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' C ' HD13 ' A' ' 16' ' ' ILE . 18.8 Cg_endo -74.89 113.47 3.8 Favored 'Trans proline' 0 C--N 1.358 1.051 0 O-C-N 124.689 1.889 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.478 ' C ' ' HB3' ' A' ' 81' ' ' ALA . 8.9 mm -108.01 132.37 55.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.466 1.104 . . . . 0.0 109.21 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.647 HG22 ' HA ' ' A' ' 80' ' ' LEU . 13.0 pt -145.75 -171.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.92 165.59 11.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.582 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -94.09 127.06 39.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.667 1.23 . . . . 0.0 109.4 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.72 -80.28 1.41 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.559 1.162 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 179.62 -37.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.205 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.1 mm? -116.74 15.5 15.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.589 1.181 . . . . 0.0 109.274 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.627 HG11 HG21 ' A' ' 48' ' ' VAL . 2.1 t -77.84 -10.04 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.146 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.556 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -76.91 -59.35 0.94 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.252 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.556 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -75.0 -10.32 21.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.062 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.827 HG13 HD11 ' A' ' 63' ' ' LEU . 17.6 t -90.45 -46.2 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.225 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 23' ' ' VAL . 6.5 tp -66.99 -33.49 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.15 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.675 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -72.17 -42.86 65.39 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.593 1.183 . . . . 0.0 110.371 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.9 m -74.89 -26.29 59.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.11 -20.51 52.04 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.286 0.991 . . . . 0.0 109.374 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -83.08 -39.55 21.02 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.699 1.249 . . . . 0.0 110.438 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 28' ' ' GLU . 10.5 pt -68.87 -36.22 73.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.725 1.266 . . . . 0.0 109.471 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -25.12 51.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.728 1.268 . . . . 0.0 109.2 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.19 147.34 36.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.686 1.241 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 54.8 3.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.412 1.743 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.88 60.31 1.7 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.151 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 50.65 1.55 Allowed 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.677 0.869 . . . . 0.0 109.354 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.513 ' C ' HD12 ' A' ' 39' ' ' ILE . 5.3 pt-20 179.22 47.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.589 1.18 . . . . 0.0 110.438 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.513 HD12 ' C ' ' A' ' 38' ' ' GLU . 1.3 mp -137.1 148.96 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 O-C-N 124.582 1.176 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.846 HG22 ' HB3' ' A' ' 51' ' ' ALA . 14.5 t -113.19 166.79 11.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 110.556 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.712 HG22 HG12 ' A' ' 50' ' ' ILE . 43.9 t -149.74 134.72 10.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 124.433 1.083 . . . . 0.0 109.402 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -113.78 74.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.404 1.065 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.36 102.6 13.54 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.611 1.194 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 6.3 tpm_? -83.85 -59.77 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 4.5 mtt180 158.99 -51.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -78.61 -35.66 45.31 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.673 1.233 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -129.58 169.8 14.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.627 HG21 HG11 ' A' ' 23' ' ' VAL . 57.5 t -128.63 119.81 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.408 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 22.4 ttt180 -117.09 149.45 40.3 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.334 1.021 . . . . 0.0 110.29 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.712 HG12 HG22 ' A' ' 41' ' ' VAL . 96.9 mt -143.68 160.58 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.369 1.043 . . . . 0.0 109.439 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.846 ' HB3' HG22 ' A' ' 40' ' ' THR . . . -144.24 128.23 17.5 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.726 1.266 . . . . 0.0 109.168 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.82 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -130.41 116.3 18.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.276 0.985 . . . . 0.0 109.242 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.42 55.12 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.447 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.77 -96.03 0.12 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.627 1.204 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -166.11 173.21 10.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.676 0.868 . . . . 0.0 110.297 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.4 mt -152.25 -179.57 7.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.669 1.23 . . . . 0.0 109.197 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -156.44 107.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.542 ' HB2' HG23 ' A' ' 94' ' ' ILE . 4.8 mt -104.86 135.9 45.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.088 . . . . 0.0 109.146 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.1 p -135.21 15.18 3.5 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.408 1.067 . . . . 0.0 110.496 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.08 44.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.594 1.184 . . . . 0.0 110.261 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -23.58 62.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.063 . . . . 0.0 109.379 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -48.22 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.612 1.195 . . . . 0.0 110.423 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.827 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.3 -47.21 87.0 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.536 1.148 . . . . 0.0 109.5 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.759 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.87 -35.66 81.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.399 1.062 . . . . 0.0 110.322 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.51 -39.73 77.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 0.0 110.474 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.3 mt-30 -65.6 -47.95 73.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.073 . . . . 0.0 110.148 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.68 HD11 HG21 ' A' ' 26' ' ' VAL . 71.3 mt -41.2 -29.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.606 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.33 65.86 0.3 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.305 1.003 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.632 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 3.7 mtm105 -53.6 -43.49 95.99 Favored Pre-proline 0 C--N 1.321 -0.652 0 O-C-N 124.486 0.757 . . . . 0.0 110.165 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.86 63.12 5.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.369 1.72 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.62 -164.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.726 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.502 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -144.57 -165.92 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.181 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.3 ptt? -79.97 -10.3 59.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.657 1.223 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -37.18 86.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.16 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.5 mt-10 -67.88 -28.48 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 110.145 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.01 -54.07 46.75 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.715 1.259 . . . . 0.0 109.321 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.619 ' O ' HD21 ' A' ' 80' ' ' LEU . 5.0 tt0 -70.5 -13.96 62.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.398 1.061 . . . . 0.0 110.147 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.55 -32.33 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 O-C-N 124.331 1.019 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' GLU . 65.6 m-20 -86.09 68.56 10.33 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.308 1.005 . . . . 0.0 109.445 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.647 ' HA ' HG22 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -141.69 164.06 31.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HB3' ' C ' ' A' ' 16' ' ' ILE . . . -134.44 -52.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.707 1.255 . . . . 0.0 109.195 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.537 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -165.67 177.59 7.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.309 1.006 . . . . 0.0 110.131 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 82' ' ' SER . 71.3 m-85 -165.45 144.0 6.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.94 -64.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.33 -135.35 2.16 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.364 1.04 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -135.45 166.3 23.48 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.405 0.709 . . . . 0.0 110.414 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.753 HG22 ' CD2' ' A' ' 96' ' ' PHE . 7.7 pt -122.89 170.94 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.408 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -155.87 114.33 3.43 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.593 1.183 . . . . 0.0 110.4 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.27 140.9 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 91' ' ' GLU . 14.5 t0 -110.63 -175.31 2.69 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.492 1.12 . . . . 0.0 109.379 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.5 pt-20 -31.91 -56.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.766 1.291 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -150.76 54.24 0.89 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.395 1.059 . . . . 0.0 109.225 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.475 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.4 pt20 -154.5 -168.66 2.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.617 1.198 . . . . 0.0 110.324 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 58' ' ' LEU . 2.5 tt -162.78 119.61 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 O-C-N 124.586 1.179 . . . . 0.0 109.208 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.58 151.67 40.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.287 0.992 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.753 ' CD2' HG22 ' A' ' 87' ' ' ILE . 19.0 m-85 -123.27 153.78 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.696 1.248 . . . . 0.0 111.059 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.544 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 2.9 p90 -151.82 165.6 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.524 ' CB ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -115.07 -23.81 8.86 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.642 1.214 . . . . 0.0 111.075 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.491 ' OD2' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.574 0 O-C-N 124.642 1.213 . . . . 0.0 109.394 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 p30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -178.73 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.393 1.058 . . . . 0.0 109.234 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -147.37 139.81 24.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.441 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.491 HG13 ' HB2' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -123.27 178.74 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.322 1.014 . . . . 0.0 109.271 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.621 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -159.61 84.36 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.675 ' C ' HD13 ' A' ' 16' ' ' ILE . 18.8 Cg_endo -74.66 125.05 9.24 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.439 1.757 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.675 HD13 ' C ' ' A' ' 15' ' ' PRO . 4.7 mm -113.32 123.3 68.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.695 HG22 ' HG ' ' A' ' 80' ' ' LEU . 1.1 pt -138.68 171.76 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -67.29 170.41 7.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.708 1.255 . . . . 0.0 110.388 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.791 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -107.73 156.83 18.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.49 -90.07 0.86 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 111.052 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 179.64 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.48 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 8.3 mp -111.29 20.63 17.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.356 1.035 . . . . 0.0 109.354 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.793 HG11 HG21 ' A' ' 48' ' ' VAL . 1.7 t -78.29 -9.58 12.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.746 1.278 . . . . 0.0 109.219 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -77.61 -58.45 0.92 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.693 1.246 . . . . 0.0 110.45 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -74.85 -11.62 21.78 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.372 1.722 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.9 HG13 HD11 ' A' ' 63' ' ' LEU . 8.6 t -89.59 -45.86 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.142 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 23' ' ' VAL . 6.0 tp -66.33 -35.09 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.691 1.245 . . . . 0.0 109.472 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -68.15 -47.26 68.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.32 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 m -71.81 -28.41 63.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.14 . . . . 0.0 110.477 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.99 -16.56 58.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.254 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -85.55 -37.6 19.44 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.56 1.162 . . . . 0.0 110.342 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 28' ' ' GLU . 8.1 pt -69.36 -30.38 45.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.633 1.208 . . . . 0.0 109.357 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.78 -27.14 63.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.2 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.01 159.42 32.28 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.231 0.957 . . . . 0.0 109.243 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -0.05 9.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.322 1.696 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.765 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -79.68 52.52 4.17 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.44 1.087 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 56.39 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.611 0.83 . . . . 0.0 109.198 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -179.95 50.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.68 1.238 . . . . 0.0 110.316 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.765 HD12 ' O ' ' A' ' 36' ' ' GLY . 1.8 mt -114.58 150.63 16.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.529 1.143 . . . . 0.0 109.44 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.3 m -112.41 113.06 25.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.529 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.455 HG22 HG23 ' A' ' 50' ' ' ILE . 46.6 t -94.05 152.62 3.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.64 80.0 1.85 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.195 0.934 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.31 105.32 6.27 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.38 1.05 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.1 tpt180 -81.64 -69.51 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 164.24 -47.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.38 1.05 . . . . 0.0 110.303 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -83.25 -40.84 19.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.18 . . . . 0.0 109.353 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.403 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 19.8 m-85 -134.18 166.81 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.793 HG21 HG11 ' A' ' 23' ' ' VAL . 95.1 t -110.38 123.53 66.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 124.629 1.206 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 29.7 ttm180 -115.55 155.05 28.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.18 . . . . 0.0 110.389 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.455 HG23 HG22 ' A' ' 41' ' ' VAL . 2.4 mt -144.62 166.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.596 1.185 . . . . 0.0 109.209 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -167.24 131.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.632 1.208 . . . . 0.0 109.158 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 39' ' ' ILE . . . -178.84 -164.31 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.427 1.08 . . . . 0.0 109.126 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 155.02 1.86 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.483 ' HA2' HG22 ' A' ' 13' ' ' VAL . . . -93.67 58.39 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.647 1.217 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.55 92.09 0.06 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.71 0.888 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.618 HD22 HD11 ' A' ' 39' ' ' ILE . 3.2 mt -137.36 176.59 8.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.337 1.023 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.408 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 1.1 pp -151.3 143.77 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.617 1.198 . . . . 0.0 109.268 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 136.51 47.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.607 1.192 . . . . 0.0 109.389 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.2 p -140.25 19.8 2.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.325 1.016 . . . . 0.0 110.374 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 34.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.505 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -51.91 -23.53 5.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 63' ' ' LEU . 7.1 t -67.79 -49.8 60.41 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.361 1.038 . . . . 0.0 110.471 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.9 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -74.08 -38.14 64.0 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.342 1.026 . . . . 0.0 109.406 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.612 ' HA ' HD12 ' A' ' 67' ' ' LEU . 2.7 mm-40 -66.94 -32.08 73.09 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.4 mm-40 -71.54 -44.24 64.96 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.684 1.24 . . . . 0.0 110.229 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.47 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.1 mm-40 -64.2 -49.17 73.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.621 1.201 . . . . 0.0 110.346 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.675 HD11 HG11 ' A' ' 26' ' ' VAL . 20.2 mt -42.81 -28.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.171 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.622 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -159.49 64.63 0.29 Allowed Glycine 0 CA--C 1.533 1.201 0 O-C-N 124.622 1.201 . . . . 0.0 111.074 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.621 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 15.4 mtm180 -51.77 -44.18 90.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 110.335 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.89 56.33 4.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.656 1.872 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.78 -159.92 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.6 1.187 . . . . 0.0 110.919 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.625 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -152.67 153.09 32.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.102 . . . . 0.0 109.145 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -33.3 56.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.89 -44.04 86.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.216 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -65.66 -23.62 66.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.454 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.772 ' O ' HD13 ' A' ' 80' ' ' LEU . 1.6 mp -62.76 -54.65 35.81 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.405 1.066 . . . . 0.0 109.309 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HA ' HD22 ' A' ' 80' ' ' LEU . 33.0 tt0 -64.37 -11.88 36.99 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.572 1.17 . . . . 0.0 110.439 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.721 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -91.75 -71.5 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.411 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.721 ' N ' HG22 ' A' ' 78' ' ' ILE . 5.4 m-20 -86.69 74.45 9.83 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.452 1.095 . . . . 0.0 109.386 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -124.17 142.29 51.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.597 1.186 . . . . 0.0 109.509 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.654 ' HB3' ' C ' ' A' ' 16' ' ' ILE . . . -39.7 -71.03 0.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.411 1.069 . . . . 0.0 109.375 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.95 -166.06 0.28 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.529 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 36.1 m-85 -153.74 -174.93 5.14 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.613 1.196 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -153.57 24.98 0.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.95 -138.41 2.94 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.396 1.06 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -116.63 153.07 32.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.38 0.694 . . . . 0.0 110.147 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.464 HD13 ' C ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -143.4 138.21 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 18.0 mt-30 -127.93 153.68 46.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.319 1.012 . . . . 0.0 110.378 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.74 139.97 49.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.171 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 91' ' ' GLU . 5.4 t0 -112.35 -179.53 3.7 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.152 . . . . 0.0 109.243 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -32.51 -46.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.26 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -155.94 66.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 0.0 109.264 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.5 pt20 -176.66 166.99 2.66 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -150.74 127.65 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.702 1.251 . . . . 0.0 109.257 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.64 159.5 27.75 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 39.5 m-85 -121.35 143.0 49.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 86' ' ' GLN . 5.0 p90 -158.56 143.32 16.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.491 ' HB2' HG13 ' A' ' 13' ' ' VAL . 4.2 t80 -110.88 46.86 1.03 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.415 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 11' ' ' ASN . 7.1 t30 . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 10' ' ' ASN . 19.7 m-80 -163.87 -88.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.192 0.932 . . . . 0.0 109.235 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -155.66 150.68 26.57 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.459 1.099 . . . . 0.0 109.139 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.685 HG12 ' HB2' ' A' ' 98' ' ' PHE . 14.4 m -97.16 179.89 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.199 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.506 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -165.47 93.57 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.17 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.83 105.57 2.1 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.464 ' HB ' ' CB ' ' A' ' 82' ' ' SER . 23.1 mm -96.07 124.2 48.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 109.385 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.448 HG22 ' HA ' ' A' ' 80' ' ' LEU . 32.1 pt -148.8 -172.41 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 47' ' ' TYR . 8.2 ptm180 -102.08 172.64 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.665 1.228 . . . . 0.0 110.197 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.553 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -83.82 98.75 9.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.624 1.202 . . . . 0.0 109.315 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.59 -90.27 0.45 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.344 1.028 . . . . 0.0 111.178 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.96 131.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.308 0.651 . . . . 0.0 109.267 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.3 mp 66.81 22.62 10.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.485 1.116 . . . . 0.0 109.375 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG11 HG21 ' A' ' 48' ' ' VAL . 1.4 t -77.94 -9.84 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 O-C-N 124.316 1.01 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -78.38 -58.66 0.78 Allowed Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.44 1.088 . . . . 0.0 110.098 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.7 Cg_endo -75.04 -11.39 21.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.411 1.742 . . . . 0.0 110.86 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.741 HG13 HD11 ' A' ' 63' ' ' LEU . 13.9 t -88.02 -42.84 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.13 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 24' ' ' GLU . 9.3 tp -69.38 -42.86 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 109.232 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.33 -42.54 98.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.394 1.059 . . . . 0.0 110.41 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.5 m -74.6 -30.46 61.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.683 1.239 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.74 -14.99 60.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -88.39 -43.36 11.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.359 1.037 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 28' ' ' GLU . 6.1 pt -63.63 -28.4 44.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.497 1.123 . . . . 0.0 109.213 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -57.26 -44.22 83.72 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.669 1.231 . . . . 0.0 109.186 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -105.32 165.81 12.5 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.386 1.054 . . . . 0.0 109.318 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.83 52.8 3.08 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.68 60.72 1.47 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.595 1.185 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 47.9 1.37 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.526 0.78 . . . . 0.0 109.257 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 179.2 38.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.365 1.041 . . . . 0.0 110.268 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 39' ' ' ILE . 22.7 mm -84.88 151.29 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.367 1.042 . . . . 0.0 109.458 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.425 ' HB ' ' HB3' ' A' ' 51' ' ' ALA . 49.8 m -123.57 111.86 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.349 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 50' ' ' ILE . 42.6 t -109.83 146.13 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 O-C-N 124.303 1.002 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -140.47 82.73 1.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.684 1.24 . . . . 0.0 110.237 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.09 106.52 16.62 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.395 1.059 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 30.5 tpt180 -80.28 -61.28 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.172 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 161.82 -47.43 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.507 1.13 . . . . 0.0 110.476 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.53 -53.39 6.91 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.481 1.113 . . . . 0.0 109.401 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 26.2 m-85 -121.52 171.26 8.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' ' 19' ' ' ALA . 73.3 t -117.71 123.44 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -118.82 111.95 19.08 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.385 1.053 . . . . 0.0 110.227 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 51' ' ' ALA . 4.7 mt -113.18 165.39 8.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.577 1.173 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.491 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -146.88 123.37 11.05 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.459 1.099 . . . . 0.0 109.421 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.96 ' HB1' ' CD2' ' A' ' 56' ' ' LEU . . . -116.51 161.2 19.5 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.555 1.16 . . . . 0.0 109.157 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 13' ' ' VAL . 5.9 pt-20 -58.21 -165.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.1 -82.92 0.04 OUTLIER Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.358 1.036 . . . . 0.0 110.948 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -110.32 145.48 37.39 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.471 0.748 . . . . 0.0 110.348 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.96 ' CD2' ' HB1' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -144.87 172.81 12.51 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.541 1.15 . . . . 0.0 109.384 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -150.87 128.55 2.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.63 1.206 . . . . 0.0 109.282 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 96' ' ' PHE . 8.1 mt -121.66 156.57 32.74 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.491 1.12 . . . . 0.0 109.194 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.7 p -145.2 19.11 1.57 Allowed 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.412 1.07 . . . . 0.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.44 44.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.773 1.296 . . . . 0.0 110.362 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -64.71 -13.74 55.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.7 t -80.44 -41.51 24.35 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.499 1.124 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.882 HD23 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -66.65 -45.06 80.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.393 1.058 . . . . 0.0 109.185 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.882 ' N ' HD23 ' A' ' 63' ' ' LEU . 3.4 mt-10 -66.18 -40.14 90.25 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.398 1.061 . . . . 0.0 110.124 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.1 mt-10 -64.71 -42.36 95.34 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.443 1.089 . . . . 0.0 110.23 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.46 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -61.13 -52.0 66.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.209 -179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 64' ' ' GLU . 30.7 mt -40.62 -29.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.397 1.061 . . . . 0.0 109.241 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.638 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.11 64.99 0.31 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.361 1.038 . . . . 0.0 110.972 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 29.2 mtm180 -52.0 -43.79 90.31 Favored Pre-proline 0 C--N 1.322 -0.612 0 O-C-N 124.748 0.911 . . . . 0.0 110.272 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.22 55.43 4.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.483 1.781 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.73 -168.4 2.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.763 1.29 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.619 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -150.7 167.28 27.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -28.72 47.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.327 1.017 . . . . 0.0 111.0 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -49.67 -40.38 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.379 1.05 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ILE . 2.5 mm-40 -60.75 -47.0 88.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.6 mt -44.39 -45.05 8.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.637 1.21 . . . . 0.0 109.293 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 15.9 tt0 -54.9 -37.12 65.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.714 1.259 . . . . 0.0 110.116 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.737 HD12 ' C ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -85.4 -41.6 15.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.631 1.207 . . . . 0.0 109.193 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' N ' HG13 ' A' ' 78' ' ' ILE . 6.1 m-80 -77.66 69.16 3.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.198 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.538 ' C ' HD23 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -154.65 178.4 10.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.424 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.47 -66.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.185 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.506 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -146.57 -176.23 5.1 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.398 1.061 . . . . 0.0 110.199 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 87' ' ' ILE . 32.7 m-85 -160.82 120.48 2.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.506 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -87.87 46.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 124.374 1.046 . . . . 0.0 109.27 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 160.58 -170.16 36.47 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.488 1.117 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 11.5 mp0 -109.99 126.7 54.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.902 HG21 ' CD2' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -125.46 130.81 72.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.346 1.029 . . . . 0.0 109.192 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.19 162.31 27.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.3 1.0 . . . . 0.0 110.378 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.88 146.75 44.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.239 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.514 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.6 t0 -104.79 -171.96 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.4 pt-20 -29.36 -53.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.363 1.039 . . . . 0.0 110.368 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.406 ' O ' ' CD ' ' A' ' 61' ' ' LYS . 8.2 p-10 -154.12 65.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.381 1.051 . . . . 0.0 109.221 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.499 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -169.44 167.3 10.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.789 1.306 . . . . 0.0 110.195 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.79 120.04 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.91 162.26 18.43 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.577 1.173 . . . . 0.0 110.104 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.902 ' CD2' HG21 ' A' ' 87' ' ' ILE . 6.4 m-85 -130.95 159.54 37.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 29.5 p90 -178.32 138.05 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.682 1.239 . . . . 0.0 111.184 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.685 ' HB2' HG12 ' A' ' 13' ' ' VAL . 49.7 t80 -116.71 93.02 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.323 1.014 . . . . 0.0 111.208 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.514 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.518 ' N ' ' CD2' ' A' ' 98' ' ' PHE . 2.7 m-20 -127.55 -80.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.591 1.182 . . . . 0.0 109.38 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -159.21 157.7 31.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.617 1.198 . . . . 0.0 109.171 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 ' HB3' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -115.18 138.75 44.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.779 1.299 . . . . 0.0 109.296 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.684 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -140.19 86.97 0.2 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 1.008 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.3 Cg_endo -75.21 140.28 24.72 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.521 1.8 . . . . 0.0 110.96 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.008 HD13 ' O ' ' A' ' 15' ' ' PRO . 5.3 mm -130.73 130.61 64.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.429 1.081 . . . . 0.0 109.4 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 16' ' ' ILE . 12.3 pt -160.07 156.74 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' CD ' ' HB3' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -53.78 177.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.376 1.047 . . . . 0.0 110.18 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.016 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -148.39 154.62 40.17 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.38 1.05 . . . . 0.0 109.214 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.25 58.48 0.26 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.457 1.098 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.474 ' O ' HD22 ' A' ' 67' ' ' LEU . 5.3 t0 -170.87 39.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.38 0.694 . . . . 0.0 109.224 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.49 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 1.4 mp 64.6 23.61 12.86 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.65 HG12 HG21 ' A' ' 48' ' ' VAL . 1.4 t -78.26 -10.58 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.387 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.533 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.4 mt-10 -75.55 -58.33 1.44 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.523 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.2 Cg_endo -75.29 -12.28 20.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.935 HG13 HD11 ' A' ' 63' ' ' LEU . 3.9 t -87.45 -46.69 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.654 ' CG1' HD11 ' A' ' 50' ' ' ILE . 5.2 tp -64.92 -37.53 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.404 1.065 . . . . 0.0 109.454 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -68.82 -38.53 79.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.654 1.221 . . . . 0.0 110.241 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.9 m -74.89 -29.28 60.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.187 . . . . 0.0 110.484 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.31 -22.75 61.14 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.471 1.107 . . . . 0.0 109.398 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -80.44 -48.43 12.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.215 0.947 . . . . 0.0 110.255 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.686 HG23 ' O ' ' A' ' 28' ' ' GLU . 4.8 pt -60.09 -30.6 46.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 124.586 1.179 . . . . 0.0 109.464 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.444 ' CB ' ' NH2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -65.33 -44.2 88.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.616 1.197 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.71 164.7 28.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.252 0.97 . . . . 0.0 109.353 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 53.5 3.37 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 39' ' ' ILE . . . -95.35 56.3 1.73 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.125 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 40.93 1.04 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.41 0.712 . . . . 0.0 109.482 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 179.77 54.26 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.238 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 52' ' ' ALA . 1.7 mp -131.95 156.55 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.7 m -117.92 112.89 20.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.699 1.25 . . . . 0.0 110.392 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.428 HG22 HG23 ' A' ' 50' ' ' ILE . 29.8 t -95.69 144.44 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 49' ' ' ARG . 4.1 mm-40 -132.14 76.85 1.72 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -97.21 101.18 12.68 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.701 1.251 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.5 tpt180 -80.41 -56.94 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.415 1.072 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 161.12 -49.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 -50.81 31.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.276 0.985 . . . . 0.0 109.227 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -124.86 167.16 15.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.432 1.082 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.016 HG23 ' HB2' ' A' ' 19' ' ' ALA . 70.8 t -125.69 120.16 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.668 1.23 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -127.31 150.74 49.45 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.343 1.027 . . . . 0.0 110.383 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.654 HD11 ' CG1' ' A' ' 27' ' ' ILE . 14.4 mt -134.14 170.63 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.334 1.022 . . . . 0.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.513 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -149.29 88.05 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.469 1.106 . . . . 0.0 109.231 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.845 ' HB3' HD11 ' A' ' 56' ' ' LEU . . . -97.15 -172.56 2.46 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.521 1.138 . . . . 0.0 109.471 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -78.64 -45.37 21.65 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' HA3' ' CG ' ' A' ' 98' ' ' PHE . . . 151.24 -38.86 0.82 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.389 1.056 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -86.5 101.46 13.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 0.718 . . . . 0.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 52' ' ' ALA . 10.0 mt -137.02 160.36 39.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.332 1.02 . . . . 0.0 109.229 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.744 HD11 ' NE2' ' A' ' 93' ' ' GLN . 0.3 OUTLIER -155.56 129.83 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.699 ' N ' HD13 ' A' ' 57' ' ' ILE . 3.8 mt -131.43 150.12 52.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 p -148.6 18.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.473 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -82.05 50.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.396 1.06 . . . . 0.0 110.288 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -16.25 43.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.646 1.216 . . . . 0.0 109.214 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -82.0 -40.81 21.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.935 HD11 HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.44 -45.12 85.08 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.561 ' N ' HD23 ' A' ' 63' ' ' LEU . 6.5 mt-10 -68.52 -36.83 79.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.259 0.974 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' ARG . 21.0 mt-10 -68.99 -40.05 79.02 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.332 1.02 . . . . 0.0 110.064 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 4.3 mt-30 -61.49 -50.12 74.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 26' ' ' VAL . 61.7 mt -40.58 -31.18 0.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.702 1.251 . . . . 0.0 109.228 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.627 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.93 65.28 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.412 1.07 . . . . 0.0 111.055 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.611 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 12.6 mtp-105 -51.15 -44.46 87.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.64 0.847 . . . . 0.0 110.254 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 19.4 Cg_endo -74.76 57.99 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 111.183 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.654 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.29 -167.68 1.98 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.539 1.15 . . . . 0.0 110.832 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' CE2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -134.27 -175.25 3.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.651 1.219 . . . . 0.0 109.272 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.1 -16.18 57.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.33 -31.21 71.07 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.492 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 1.6 mt-10 -66.84 -33.92 76.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.368 1.042 . . . . 0.0 110.314 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.517 ' O ' HD21 ' A' ' 80' ' ' LEU . 31.6 mt -61.57 -57.68 11.12 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.767 ' HA ' HD11 ' A' ' 80' ' ' LEU . 7.7 pt-20 -65.18 -19.59 66.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 79' ' ' ASN . 1.3 mt -81.75 -62.24 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.672 1.232 . . . . 0.0 109.441 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.512 ' O ' HD23 ' A' ' 80' ' ' LEU . 77.5 m-20 -68.74 67.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.232 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.767 HD11 ' HA ' ' A' ' 77' ' ' GLU . 55.1 mt -123.31 162.59 22.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.362 1.039 . . . . 0.0 109.492 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB3' ' C ' ' A' ' 16' ' ' ILE . . . -126.3 -71.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.87 -178.42 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 109.787 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -167.25 143.14 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 111.051 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.684 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -91.32 -80.55 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.394 1.058 . . . . 0.0 109.216 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.521 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -62.31 -148.37 0.02 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.471 1.107 . . . . 0.0 111.132 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -121.46 157.8 29.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 0.756 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.804 HG22 ' CD1' ' A' ' 96' ' ' PHE . 1.1 pp -125.78 150.75 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.627 1.204 . . . . 0.0 109.196 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -139.18 120.42 14.78 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.556 1.16 . . . . 0.0 110.152 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.8 135.56 44.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.553 1.158 . . . . 0.0 109.548 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 91' ' ' GLU . 10.9 t0 -105.8 179.92 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.667 1.229 . . . . 0.0 109.272 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.29 -44.37 0.13 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.372 1.045 . . . . 0.0 110.143 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -158.11 64.91 0.45 Allowed 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.404 1.065 . . . . 0.0 109.446 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.744 ' NE2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -173.44 163.83 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.334 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.54 124.28 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 155.04 47.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.419 1.074 . . . . 0.0 110.227 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.804 ' CD1' HG22 ' A' ' 87' ' ' ILE . 17.8 m-30 -119.07 138.47 52.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 111.033 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.556 ' O ' ' CD2' ' A' ' 97' ' ' TYR . 46.9 p90 -140.54 113.98 8.65 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.631 1.207 . . . . 0.0 110.882 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -78.35 4.19 13.63 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.688 1.242 . . . . 0.0 110.883 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.187 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -154.55 -82.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.644 1.215 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.603 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 4.3 p-10 -168.56 142.24 3.1 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.512 1.133 . . . . 0.0 109.185 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 98' ' ' PHE . 4.5 m -95.05 167.59 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.703 1.252 . . . . 0.0 109.38 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.55 ' HA3' ' HB3' ' A' ' 84' ' ' ALA . . . -162.31 73.8 0.19 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.352 1.033 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.887 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.0 Cg_endo -75.12 130.56 13.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.633 1.859 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 15' ' ' PRO . 3.0 mm -124.49 133.51 69.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.0 pt -144.71 171.39 6.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.614 1.196 . . . . 0.0 109.37 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.55 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 4.5 ptt180 -105.96 49.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . . . -66.2 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.55 82.0 0.32 Allowed Glycine 0 CA--C 1.533 1.159 0 O-C-N 124.565 1.166 . . . . 0.0 110.868 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.14 -70.02 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.654 0.855 . . . . 0.0 109.394 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.45 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 28.4 mt -145.22 18.0 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 O-C-N 124.447 1.092 . . . . 0.0 109.174 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.609 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.2 t -79.16 -9.67 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -73.69 -59.34 1.94 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.252 0.97 . . . . 0.0 110.442 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -75.01 -13.03 21.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.629 1.858 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.641 HG13 HD11 ' A' ' 63' ' ' LEU . 3.2 t -87.12 -45.25 16.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 23' ' ' VAL . 6.6 tp -68.06 -35.97 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 O-C-N 124.408 1.068 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.917 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -66.72 -42.16 86.78 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.535 1.147 . . . . 0.0 110.445 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -77.43 -27.5 52.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 110.401 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.45 -17.32 52.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.601 1.188 . . . . 0.0 109.227 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -89.53 -39.27 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.353 1.033 . . . . 0.0 110.395 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.6 pp -67.79 -29.41 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 124.539 1.149 . . . . 0.0 109.448 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -62.39 -24.62 67.48 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.569 1.168 . . . . 0.0 109.086 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.26 155.05 44.16 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.552 1.157 . . . . 0.0 109.227 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.1 56.23 4.24 Favored 'Trans proline' 0 C--N 1.362 1.271 0 O-C-N 124.239 1.652 . . . . 0.0 111.21 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.82 58.91 1.8 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.64 1.213 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 46.12 1.35 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.324 0.661 . . . . 0.0 109.359 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -178.62 50.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -130.11 148.87 33.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.415 1.072 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -116.36 113.22 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.596 1.185 . . . . 0.0 110.462 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.61 HG22 HG23 ' A' ' 50' ' ' ILE . 99.0 t -103.0 129.31 54.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 124.28 0.988 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.88 86.04 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.48 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -97.17 124.89 41.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.389 1.056 . . . . 0.0 109.45 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -95.81 -53.41 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 162.97 -62.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.385 1.053 . . . . 0.0 110.262 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.578 ' C ' ' CD1' ' A' ' 47' ' ' TYR . . . -87.97 11.86 14.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.458 1.098 . . . . 0.0 109.216 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' ' 46' ' ' ALA . 61.6 m-85 -155.22 178.91 9.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.787 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.768 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 71.6 t -156.35 118.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.19 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 36.5 ttt180 -118.26 146.54 44.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.255 0.972 . . . . 0.0 110.372 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.61 HG23 HG22 ' A' ' 41' ' ' VAL . 5.7 mt -130.92 157.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 O-C-N 124.614 1.197 . . . . 0.0 109.389 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.55 124.0 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.404 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' HB1' ' CD2' ' A' ' 56' ' ' LEU . . . -138.78 129.03 25.61 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.619 1.199 . . . . 0.0 109.21 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.22 71.66 7.22 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.664 1.227 . . . . 0.0 110.353 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.29 -90.92 0.13 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.488 1.118 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.79 ' C ' HD22 ' A' ' 56' ' ' LEU . 6.0 pt-20 -179.64 161.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.339 0.67 . . . . 0.0 110.121 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.79 HD22 ' C ' ' A' ' 55' ' ' GLU . 3.4 mm? -141.16 174.13 10.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.227 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pp -148.58 139.75 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.162 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.418 ' HB2' HG23 ' A' ' 94' ' ' ILE . 1.5 mt -125.27 156.54 38.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.217 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.9 p -142.99 15.6 1.91 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 1.15 . . . . 0.0 110.386 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.72 42.05 1.03 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.641 1.213 . . . . 0.0 110.174 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -21.56 25.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.379 1.05 . . . . 0.0 109.166 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -49.79 41.2 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.66 1.225 . . . . 0.0 110.422 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.641 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -59.77 -45.9 90.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.207 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.828 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -65.26 -41.34 94.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.349 1.031 . . . . 0.0 110.314 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' ARG . 14.0 mt-10 -63.91 -43.01 97.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 110.13 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.505 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.2 mt-30 -61.07 -52.45 64.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.348 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.828 HD12 ' HA ' ' A' ' 64' ' ' GLU . 13.2 mt -40.41 -29.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.172 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -158.4 66.7 0.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.651 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 7.2 mtp180 -55.31 -42.52 96.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.399 0.706 . . . . 0.0 110.236 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.02 3.6 5.49 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.302 1.685 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.747 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -98.22 -177.97 3.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.395 1.059 . . . . 0.0 111.162 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.614 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -140.84 166.1 25.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -15.92 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -30.97 70.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.403 1.064 . . . . 0.0 110.204 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' ASN . 0.6 OUTLIER -71.95 -28.65 63.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.17 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.42 -48.03 79.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.529 ' O ' HD21 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -73.72 -25.08 60.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.207 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.668 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -80.49 -65.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.659 1.224 . . . . 0.0 109.326 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.668 ' N ' HG22 ' A' ' 78' ' ' ILE . 2.4 m-20 -70.5 86.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.596 1.185 . . . . 0.0 109.198 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.529 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -148.95 167.7 25.06 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.435 1.084 . . . . 0.0 109.231 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.56 -72.03 0.7 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.607 1.192 . . . . 0.0 109.421 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -147.67 -175.1 4.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.589 1.181 . . . . 0.0 110.025 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 82' ' ' SER . 45.9 m-85 -166.26 125.6 1.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.283 0.989 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.55 ' HB3' ' HA3' ' A' ' 14' ' ' GLY . . . -101.87 37.26 1.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.412 1.07 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.43 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -174.97 -152.77 9.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.528 1.143 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -126.07 165.08 19.5 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.364 0.685 . . . . 0.0 110.271 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 94' ' ' ILE . 16.0 tt -143.55 159.93 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -152.88 176.44 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 110.257 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.31 154.42 34.54 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.632 1.208 . . . . 0.0 109.207 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 10.6 t0 -120.12 -172.2 2.3 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.549 1.156 . . . . 0.0 109.211 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.6 pt-20 -31.65 -53.21 0.25 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.593 1.183 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.61 60.85 0.81 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.636 1.21 . . . . 0.0 109.414 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.471 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -162.43 168.7 21.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.327 1.017 . . . . 0.0 110.337 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 87' ' ' ILE . 2.3 tt -133.98 120.36 35.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -106.61 160.91 15.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.402 1.064 . . . . 0.0 110.459 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.604 ' CZ ' HD12 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -141.92 144.81 33.96 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.4 1.063 . . . . 0.0 110.958 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 55' ' ' GLU . 11.9 p90 -176.15 158.73 1.99 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.725 1.265 . . . . 0.0 110.776 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.685 ' HB2' HG13 ' A' ' 13' ' ' VAL . 59.7 t80 -106.66 87.87 2.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.458 1.098 . . . . 0.0 109.351 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.3 t30 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -173.29 -88.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.579 1.174 . . . . 0.0 109.189 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -157.28 134.35 10.27 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.437 1.086 . . . . 0.0 109.163 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.596 HG12 ' CD1' ' A' ' 98' ' ' PHE . 21.5 m -104.73 177.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 124.575 1.172 . . . . 0.0 109.407 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.586 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -168.92 94.37 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.196 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 18.1 Cg_endo -75.02 127.25 10.52 Favored 'Trans proline' 0 C--N 1.356 0.955 0 O-C-N 124.466 1.771 . . . . 0.0 110.999 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 15.9 mm -114.05 128.4 71.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.651 1.219 . . . . 0.0 109.351 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 16' ' ' ILE . 43.9 pt -152.71 175.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 124.67 1.231 . . . . 0.0 109.138 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -82.34 165.76 20.06 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -102.27 144.86 30.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.722 1.264 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.94 -80.43 1.21 Allowed Glycine 0 CA--C 1.532 1.135 0 O-C-N 124.595 1.184 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.69 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 0.775 . . . . 0.0 109.243 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.537 HD23 ' HG2' ' A' ' 25' ' ' PRO . 1.7 mt -108.36 17.21 22.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.111 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.741 HG11 HG21 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -82.38 -12.32 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 124.269 0.981 . . . . 0.0 109.206 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -78.95 -54.87 1.0 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.73 1.269 . . . . 0.0 110.361 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.537 ' HG2' HD23 ' A' ' 22' ' ' LEU . 18.8 Cg_endo -75.07 -13.63 21.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.644 1.865 . . . . 0.0 110.977 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.811 ' CG1' HD21 ' A' ' 63' ' ' LEU . 9.0 t -88.1 -47.52 15.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.435 1.084 . . . . 0.0 109.177 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.575 HD11 HD11 ' A' ' 50' ' ' ILE . 7.8 tp -62.74 -34.9 68.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -69.13 -50.43 47.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.579 1.174 . . . . 0.0 110.13 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 m -69.94 -21.85 63.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.96 -18.02 41.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.636 1.21 . . . . 0.0 109.107 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' ASN . 39.2 mm-40 -84.86 -38.42 19.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.405 1.066 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.636 ' C ' HD12 ' A' ' 32' ' ' ILE . 1.2 pp -71.42 -38.96 70.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.58 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -53.35 -27.2 22.41 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -115.41 157.86 42.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 124.559 1.162 . . . . 0.0 109.38 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 55.2 3.94 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.35 55.48 2.07 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.534 1.146 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.53 46.42 1.38 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 0.731 . . . . 0.0 109.295 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.98 50.79 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 124.297 0.998 . . . . 0.0 110.306 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.737 HG12 ' HB2' ' A' ' 52' ' ' ALA . 1.3 mp -132.82 127.86 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.642 1.214 . . . . 0.0 109.185 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -95.27 114.2 25.95 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.384 1.053 . . . . 0.0 110.294 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.98 142.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -132.08 69.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.133 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.77 ' OD1' HG13 ' A' ' 48' ' ' VAL . 72.1 m-20 -92.43 110.23 21.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.623 1.202 . . . . 0.0 109.239 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 3.9 tpt180 -82.88 -57.67 3.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.353 1.033 . . . . 0.0 110.188 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER 161.87 -48.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.38 1.05 . . . . 0.0 110.332 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.69 -26.71 37.36 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 109.39 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -138.92 167.1 22.79 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 111.194 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.77 HG13 ' OD1' ' A' ' 43' ' ' ASP . 52.1 t -130.11 115.75 34.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.573 1.17 . . . . 0.0 109.208 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 16.1 ttp-105 -121.0 152.16 38.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.249 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.575 HD11 HD11 ' A' ' 27' ' ' ILE . 6.5 mt -136.35 166.43 26.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.608 1.193 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.412 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -146.85 116.18 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.755 1.284 . . . . 0.0 109.23 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.737 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -131.04 -170.2 2.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.638 1.211 . . . . 0.0 109.139 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -25.95 34.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.451 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . 94.78 58.54 1.18 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.622 1.201 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.734 ' H ' HD22 ' A' ' 56' ' ' LEU . 13.0 pt-20 -176.7 53.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.734 HD22 ' H ' ' A' ' 55' ' ' GLU . 2.3 mm? -116.44 -179.04 3.56 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.623 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -149.91 150.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.625 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -139.2 153.08 47.84 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.322 1.014 . . . . 0.0 109.412 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.7 p -143.64 14.57 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.36 1.038 . . . . 0.0 110.465 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 48.01 1.56 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.72 1.262 . . . . 0.0 110.233 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -21.14 66.16 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.617 1.198 . . . . 0.0 109.22 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 t -73.44 -35.97 65.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.811 HD21 ' CG1' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -75.93 -40.34 54.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.306 1.004 . . . . 0.0 109.325 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.597 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -71.61 -27.12 62.9 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.819 1.325 . . . . 0.0 110.506 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -38.5 55.22 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.611 1.194 . . . . 0.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.465 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -68.25 -48.41 65.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.779 HD11 HG11 ' A' ' 26' ' ' VAL . 56.7 mt -43.46 -27.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.323 1.014 . . . . 0.0 109.196 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.45 65.03 0.32 Allowed Glycine 0 CA--C 1.526 0.746 0 O-C-N 124.703 1.252 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.64 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 11.4 mtp-105 -54.35 -43.23 97.34 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 124.452 0.736 . . . . 0.0 110.199 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.9 Cg_endo -74.94 58.71 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.591 1.837 . . . . 0.0 111.087 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.794 ' HE2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -155.68 -159.34 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.609 1.193 . . . . 0.0 111.063 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.58 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.05 -156.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.2 mtt -89.91 -40.63 12.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.437 1.086 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.32 -33.44 42.53 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.661 1.226 . . . . 0.0 110.377 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.468 ' OE2' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -69.72 -25.43 63.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.794 HD21 ' HE2' ' A' ' 71' ' ' PHE . 74.9 mt -65.83 -52.88 46.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.499 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -70.84 -14.55 62.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 110.357 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.66 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -90.35 -64.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.66 ' N ' HG22 ' A' ' 78' ' ' ILE . 8.7 m-80 -73.01 68.74 0.94 Allowed 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 124.635 1.209 . . . . 0.0 109.436 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -137.46 162.34 33.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.277 0.986 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.95 -56.22 2.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.63 1.206 . . . . 0.0 109.438 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.33 -168.39 0.71 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.333 1.021 . . . . 0.0 110.043 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -170.46 118.12 0.53 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.311 1.007 . . . . 0.0 110.986 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.586 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -88.28 13.33 11.79 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.526 1.141 . . . . 0.0 109.115 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 98' ' ' PHE . . . -148.51 -168.5 14.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -116.44 144.16 44.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 0.739 . . . . 0.0 110.399 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.594 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 30.5 pt -125.97 136.43 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -125.72 119.47 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 110.128 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.3 142.81 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -120.81 -176.15 3.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.281 0.988 . . . . 0.0 109.194 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -29.89 -55.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.383 1.052 . . . . 0.0 110.328 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -151.8 63.7 0.86 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.241 0.963 . . . . 0.0 109.408 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.481 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 10.1 pt20 -174.97 173.92 2.59 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.557 1.161 . . . . 0.0 110.232 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.6 tt -152.1 119.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.385 1.053 . . . . 0.0 109.473 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.86 145.55 35.12 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.17 . . . . 0.0 110.228 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.522 ' CG ' HG22 ' A' ' 87' ' ' ILE . 4.4 m-85 -108.65 118.74 37.57 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.691 1.244 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 19.8 p90 -130.84 164.37 25.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.596 ' CD1' HG12 ' A' ' 13' ' ' VAL . 1.9 t80 -141.07 110.85 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.109 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.577 HD21 ' N ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 17.6 m-20 -151.88 -54.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.759 1.287 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' ALA . 21.6 p-10 179.99 147.79 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.356 1.035 . . . . 0.0 109.197 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.528 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -106.8 129.75 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.308 1.005 . . . . 0.0 109.103 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.9 76.79 0.34 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.525 1.141 . . . . 0.0 111.163 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 83' ' ' PHE . 18.6 Cg_endo -75.01 114.05 3.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.519 HG22 ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -109.38 124.31 65.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 O-C-N 124.602 1.189 . . . . 0.0 109.181 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.0 pt -146.63 168.48 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.706 1.253 . . . . 0.0 109.387 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -82.54 -176.39 6.22 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.551 1.157 . . . . 0.0 110.419 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.91 155.17 32.39 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.672 1.233 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.24 -55.09 0.12 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.346 1.029 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.4 t0 179.84 163.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.399 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.481 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 2.2 mm? 66.24 10.64 7.31 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.01 HG11 HG21 ' A' ' 48' ' ' VAL . 2.1 t -80.39 -10.03 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.8 mt-10 -77.25 -57.03 1.14 Allowed Pre-proline 0 N--CA 1.452 -0.332 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.1 Cg_endo -75.13 -13.27 21.2 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.506 1.792 . . . . 0.0 110.82 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.095 HG22 HD11 ' A' ' 63' ' ' LEU . 3.3 t -88.49 -46.35 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 23' ' ' VAL . 2.8 tp -68.74 -26.79 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -82.47 -34.47 28.07 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m -82.48 -22.48 35.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.44 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.45 -34.69 41.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.301 1.001 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.87 -45.9 73.22 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 124.663 1.227 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.641 HG23 ' O ' ' A' ' 28' ' ' GLU . 22.4 pt -60.77 -39.41 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -53.12 -24.18 9.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.48 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.45 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -122.93 175.48 2.67 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.413 1.07 . . . . 0.0 109.23 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 17.7 Cg_endo -75.34 80.58 2.47 Favored 'Trans proline' 0 C--N 1.362 1.283 0 O-C-N 124.504 1.792 . . . . 0.0 110.908 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.551 ' HA2' HD13 ' A' ' 39' ' ' ILE . . . -88.97 34.81 3.81 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.479 1.112 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.09 23.05 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 0.798 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.594 ' C ' HD12 ' A' ' 39' ' ' ILE . 4.8 pt-20 -178.74 50.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.356 1.035 . . . . 0.0 110.178 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 38' ' ' GLU . 1.6 mp -137.09 150.72 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.387 1.054 . . . . 0.0 109.169 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.5 m -124.99 115.17 20.13 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.625 1.203 . . . . 0.0 110.472 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.539 HG12 ' OD1' ' A' ' 43' ' ' ASP . 58.3 t -98.58 143.72 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.199 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.57 81.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.215 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.539 ' OD1' HG12 ' A' ' 41' ' ' VAL . 3.1 m-20 -93.44 103.69 15.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.304 1.002 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -81.02 -54.44 5.55 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.429 1.081 . . . . 0.0 110.255 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 5.5 mtt180 162.01 -50.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.62 -54.15 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.366 1.042 . . . . 0.0 109.073 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -105.56 162.81 13.17 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.451 1.094 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.01 HG21 HG11 ' A' ' 23' ' ' VAL . 11.6 t -133.61 114.62 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 124.662 1.226 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -118.8 163.73 16.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.224 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 51' ' ' ALA . 8.7 mt -139.21 171.43 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.044 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -152.46 123.93 7.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.9 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -134.72 174.01 11.05 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.624 1.203 . . . . 0.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -57.84 -21.4 42.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.735 1.272 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.93 37.39 0.58 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -176.55 122.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.9 HD11 ' HB2' ' A' ' 52' ' ' ALA . 24.4 mt -148.69 167.38 25.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -150.69 125.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.725 1.266 . . . . 0.0 109.259 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.99 152.26 36.71 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.568 1.167 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 p -140.94 22.54 2.27 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.567 1.167 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.686 ' HD3' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -85.68 45.05 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.285 0.991 . . . . 0.0 110.35 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -13.44 62.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.14 . . . . 0.0 109.219 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 t -86.6 -33.77 20.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.095 HD11 HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -80.87 -36.01 31.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.624 1.202 . . . . 0.0 109.204 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.501 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.69 -30.24 62.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -73.66 -37.81 65.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.511 1.132 . . . . 0.0 110.486 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.7 mt-30 -66.26 -49.59 66.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 mt -42.28 -28.27 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 0.0 109.165 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.611 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.23 65.38 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 16.2 mtp-105 -53.91 -43.28 96.32 Favored Pre-proline 0 N--CA 1.452 -0.334 0 O-C-N 124.595 0.821 . . . . 0.0 110.442 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.2 Cg_endo -74.9 63.43 5.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.393 1.733 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.83 -162.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 110.822 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -150.07 -163.47 1.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -14.43 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.347 1.029 . . . . 0.0 110.942 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.26 -43.19 99.4 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.74 -21.85 62.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.589 1.181 . . . . 0.0 110.104 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.625 ' O ' HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -65.13 -41.54 94.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.147 . . . . 0.0 109.22 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 12.0 tt0 -89.0 -14.66 36.01 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.667 1.229 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.17 -18.82 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 O-C-N 124.386 1.054 . . . . 0.0 109.622 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.69 ' O ' HD23 ' A' ' 80' ' ' LEU . 48.1 m-20 -97.26 70.77 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.178 . . . . 0.0 109.138 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 79' ' ' ASN . 1.5 mt -135.06 169.04 18.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.652 1.22 . . . . 0.0 109.424 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.519 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -134.13 -47.51 0.78 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.693 1.246 . . . . 0.0 109.473 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.48 -179.47 1.55 Allowed 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.556 1.16 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 1.7 t80 -172.35 150.56 2.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.344 1.027 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.32 -44.6 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.29 -148.82 24.76 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -112.97 166.96 10.92 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.584 0.814 . . . . 0.0 110.078 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.561 HG13 ' CZ ' ' A' ' 83' ' ' PHE . 4.7 mp -123.75 151.32 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.177 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -168.96 127.01 1.01 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.824 ' HB1' ' O ' ' A' ' 93' ' ' GLN . . . -107.42 170.65 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.508 ' CB ' ' OE1' ' A' ' 93' ' ' GLN . 3.6 t70 -119.44 -171.62 2.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.607 1.192 . . . . 0.0 109.448 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.6 pt-20 -32.65 -55.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.773 1.296 . . . . 0.0 110.419 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -148.57 61.79 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.668 1.23 . . . . 0.0 109.247 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.824 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 5.5 pt20 -164.86 173.98 11.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.766 HD11 ' CZ ' ' A' ' 96' ' ' PHE . 0.9 OUTLIER -135.37 120.81 29.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.424 1.078 . . . . 0.0 109.224 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.526 ' HE ' ' NE2' ' A' ' 93' ' ' GLN . 89.9 mtt180 -116.75 147.49 41.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 94' ' ' ILE . 22.9 m-85 -125.32 142.01 51.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.64 1.213 . . . . 0.0 111.018 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CA ' HG11 ' A' ' 13' ' ' VAL . 2.6 p90 -157.97 156.72 31.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.343 1.027 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 11' ' ' ASN . 74.9 t80 -117.0 92.74 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 111.066 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 6.8 m-20 -179.54 -78.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -177.3 139.36 0.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -104.29 135.19 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.259 0.974 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.658 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -121.53 76.35 0.34 Allowed Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.454 1.096 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.888 ' O ' HD13 ' A' ' 16' ' ' ILE . 19.2 Cg_endo -75.06 140.12 24.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.598 1.841 . . . . 0.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 15' ' ' PRO . 4.6 mm -127.68 138.34 55.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.72 1.262 . . . . 0.0 109.284 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -144.0 177.68 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.625 1.203 . . . . 0.0 109.235 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ALA . 4.2 ptm180 -108.28 57.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.541 ' HB3' HG23 ' A' ' 48' ' ' VAL . . . -38.74 156.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.41 1.069 . . . . 0.0 109.301 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.35 -73.56 0.66 Allowed Glycine 0 CA--C 1.532 1.142 0 O-C-N 124.406 1.066 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -171.93 33.17 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.403 0.707 . . . . 0.0 109.473 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 26.9 mt -149.58 19.17 0.92 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.129 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.593 HG11 HG21 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -84.91 -15.47 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.8 mt-10 -71.95 -55.97 4.92 Favored Pre-proline 0 C--N 1.328 -0.367 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -75.13 -17.81 18.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.653 1.87 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.785 HG13 HD21 ' A' ' 63' ' ' LEU . 4.7 t -81.66 -41.36 18.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 24' ' ' GLU . 2.3 tp -69.29 -38.91 78.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 O-C-N 124.587 1.179 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -61.39 -40.83 95.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.728 1.268 . . . . 0.0 110.491 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 m -80.03 -28.47 39.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.649 1.218 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.82 -14.1 58.92 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.598 1.187 . . . . 0.0 109.333 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.93 -40.94 14.36 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.426 1.079 . . . . 0.0 110.156 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' GLU . 7.8 pt -64.7 -36.82 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.23 -32.28 73.81 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.673 1.233 . . . . 0.0 109.24 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 57' ' ' ILE . 1.5 t-20 -94.51 133.79 26.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.347 1.03 . . . . 0.0 109.195 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 0.3 9.03 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.581 1.832 . . . . 0.0 110.785 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.05 53.33 4.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 67.26 0.22 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -179.76 52.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 40' ' ' THR . 12.2 mt -117.05 158.11 17.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.578 1.174 . . . . 0.0 109.466 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.408 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 3.7 m -113.84 112.87 24.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.474 HG22 HG23 ' A' ' 50' ' ' ILE . 60.1 t -99.48 144.49 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.468 1.105 . . . . 0.0 109.428 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -131.15 115.53 16.51 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -108.3 121.92 45.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.483 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 19.9 tpt85 -88.06 -42.5 12.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.604 1.19 . . . . 0.0 110.195 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 3.8 mtt180 159.66 -72.46 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.715 1.26 . . . . 0.0 110.29 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.39 -50.79 11.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 3.7 m-30 -103.24 165.13 11.21 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.593 HG21 HG11 ' A' ' 23' ' ' VAL . 44.2 t -135.41 149.38 28.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.614 1.196 . . . . 0.0 109.179 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -139.31 157.92 45.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 51' ' ' ALA . 18.9 mt -129.49 169.28 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.71 1.257 . . . . 0.0 109.308 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.526 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -149.57 95.01 2.28 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.288 0.993 . . . . 0.0 109.446 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.125 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -101.9 177.79 4.8 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.527 1.142 . . . . 0.0 109.114 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -65.05 -26.9 68.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.579 1.174 . . . . 0.0 110.4 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.32 -56.72 0.52 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -92.3 134.89 34.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 0.827 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.125 HD11 ' CB ' ' A' ' 52' ' ' ALA . 70.7 mt -148.75 159.83 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.363 1.04 . . . . 0.0 109.295 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' O ' HD12 ' A' ' 57' ' ' ILE . 2.7 pp -140.45 129.5 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.642 1.213 . . . . 0.0 109.429 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -129.93 140.55 50.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 109.444 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.5 p -129.91 7.58 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 110.32 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.91 44.98 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 110.238 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -20.13 55.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.373 1.046 . . . . 0.0 109.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 63' ' ' LEU . 13.5 t -71.65 -48.89 44.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.301 1.001 . . . . 0.0 110.219 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.785 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.42 -44.28 97.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.627 1.204 . . . . 0.0 109.219 -179.804 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' N ' HD23 ' A' ' 63' ' ' LEU . 1.7 mm-40 -68.6 -33.35 73.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' ARG . 18.6 mt-10 -71.17 -40.73 71.09 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -63.69 -50.4 69.35 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.385 1.053 . . . . 0.0 110.474 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 26' ' ' VAL . 80.5 mt -42.98 -27.9 0.22 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.486 1.116 . . . . 0.0 109.396 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.631 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.45 65.42 0.3 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.754 1.284 . . . . 0.0 110.958 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 40.5 mtm180 -54.0 -43.92 97.51 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.454 0.737 . . . . 0.0 110.35 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.8 Cg_endo -74.78 62.09 5.6 Favored 'Trans proline' 0 C--N 1.357 1.007 0 O-C-N 124.429 1.752 . . . . 0.0 111.155 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CZ ' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.03 -174.63 4.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.409 1.068 . . . . 0.0 111.079 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.443 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -170.6 -169.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.227 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -41.94 -70.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.631 1.207 . . . . 0.0 110.95 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 73' ' ' MET . 0.8 OUTLIER -36.32 -52.49 0.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.743 1.277 . . . . 0.0 110.243 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -41.15 95.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.728 HD11 ' CZ ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -52.98 -52.56 57.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.526 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -14.52 62.99 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.606 1.191 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.556 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -88.47 -58.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.523 1.139 . . . . 0.0 109.435 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.556 ' N ' HG22 ' A' ' 78' ' ' ILE . 2.5 m-80 -70.16 77.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.258 0.974 . . . . 0.0 109.23 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.863 ' O ' HD23 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -164.53 166.64 20.19 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.562 1.163 . . . . 0.0 109.222 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.47 -73.12 0.67 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.093 . . . . 0.0 109.393 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.13 -168.84 3.19 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.685 1.241 . . . . 0.0 110.018 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.698 ' CE1' HG22 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -178.49 106.83 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.57 1.169 . . . . 0.0 111.225 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.658 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -53.44 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.514 1.134 . . . . 0.0 109.204 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.404 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -67.95 -167.06 3.77 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.422 1.076 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . 4.5 mt-30 -93.7 174.99 6.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.662 0.86 . . . . 0.0 110.253 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.698 HG22 ' CE1' ' A' ' 83' ' ' PHE . 18.1 pt -135.93 147.39 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.195 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -141.75 159.95 41.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.482 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.95 140.5 22.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.601 1.188 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -108.98 -168.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.0 pt-20 -30.23 -59.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.644 1.215 . . . . 0.0 110.253 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -148.23 61.04 1.11 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.72 1.263 . . . . 0.0 109.221 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.482 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.8 pt20 -161.16 162.94 31.52 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.423 1.077 . . . . 0.0 110.238 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -137.36 119.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 109.478 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.59 140.63 52.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 94' ' ' ILE . 17.4 m-85 -107.36 157.75 17.71 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 40.7 p90 -165.98 124.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.347 1.029 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 11' ' ' ASN . 1.1 t80 -78.69 -10.75 59.87 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.573 1.171 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.724 1.265 . . . . 0.0 109.344 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -171.06 -88.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.741 1.276 . . . . 0.0 109.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -156.59 128.1 7.11 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.404 1.065 . . . . 0.0 109.418 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.987 HG23 ' HB3' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -101.65 141.63 17.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.608 1.192 . . . . 0.0 109.412 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.88 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -133.08 86.98 0.27 Allowed Glycine 0 CA--C 1.527 0.842 0 O-C-N 124.476 1.11 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.682 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.2 Cg_endo -74.94 127.33 10.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.306 1.688 . . . . 0.0 110.932 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 15' ' ' PRO . 6.3 mm -118.4 117.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.9 pt -137.82 168.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 124.637 1.211 . . . . 0.0 109.32 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -54.29 179.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.577 1.173 . . . . 0.0 110.563 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -117.93 172.01 7.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 109.389 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.17 -100.7 0.2 Allowed Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.582 1.176 . . . . 0.0 110.78 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.85 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.594 HD23 ' HG2' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -89.77 15.41 9.76 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.504 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.1 t -80.37 -9.99 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.391 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.518 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.5 mt-10 -75.42 -57.65 1.61 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.594 ' HG2' HD23 ' A' ' 22' ' ' LEU . 18.8 Cg_endo -75.11 -15.14 20.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.985 HG13 HD21 ' A' ' 63' ' ' LEU . 3.5 t -84.86 -47.74 16.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.581 1.176 . . . . 0.0 109.512 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' VAL . 9.8 tp -64.3 -41.62 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.668 1.23 . . . . 0.0 109.337 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.619 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -60.29 -44.87 95.0 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.321 1.013 . . . . 0.0 110.327 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -69.99 -34.57 73.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.28 73.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -70.56 -48.94 52.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.593 1.183 . . . . 0.0 110.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.2 pt -68.01 -10.65 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.332 1.02 . . . . 0.0 109.086 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -87.25 -10.1 53.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.561 1.163 . . . . 0.0 109.23 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -126.77 155.99 74.36 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.552 1.157 . . . . 0.0 109.167 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -1.99 11.95 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.43 52.99 4.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.103 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 63.05 0.21 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.508 0.77 . . . . 0.0 109.347 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -178.91 56.05 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 52' ' ' ALA . 20.7 mm -113.53 153.16 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.6 m -114.64 112.69 23.28 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.662 1.226 . . . . 0.0 110.401 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 50' ' ' ILE . 41.0 t -99.66 149.89 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.64 1.212 . . . . 0.0 109.126 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -137.71 92.24 2.66 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.621 1.2 . . . . 0.0 110.264 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -90.56 109.15 20.31 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.455 1.097 . . . . 0.0 109.416 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -71.98 0.47 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.332 1.02 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 168.51 -45.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.199 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.28 -33.84 25.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.445 1.091 . . . . 0.0 109.397 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -144.16 168.9 18.94 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.714 1.259 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 19' ' ' ALA . 71.5 t -122.17 128.65 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.12 145.7 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.525 HG23 HG22 ' A' ' 41' ' ' VAL . 7.7 mt -125.47 170.42 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.189 . . . . 0.0 109.098 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.525 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -138.48 99.41 3.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.987 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -100.37 169.31 9.19 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.609 1.193 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -46.7 46.68 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.339 1.024 . . . . 0.0 110.188 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.49 -74.51 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.248 0.967 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.445 ' O ' HD23 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -93.82 115.61 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 0.749 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.803 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 20.5 mt -147.87 -176.66 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.513 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -148.2 159.29 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.435 1.085 . . . . 0.0 109.429 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 57' ' ' ILE . 19.2 mt -144.21 131.36 20.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.61 1.194 . . . . 0.0 109.335 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.5 p -124.6 25.43 7.54 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.369 1.043 . . . . 0.0 110.395 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.552 ' HD3' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -88.52 29.7 0.97 Allowed 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.189 -179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -29.04 66.29 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.9 t -70.75 -44.58 66.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.825 1.328 . . . . 0.0 110.482 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.985 HD21 HG13 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -66.54 -38.58 87.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -21.75 51.36 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.9 -38.45 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.683 1.239 . . . . 0.0 110.409 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.409 ' C ' ' N ' ' A' ' 68' ' ' GLY . 0.3 OUTLIER -71.15 -47.05 60.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.206 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.533 HD11 HG21 ' A' ' 26' ' ' VAL . 31.4 mt -43.66 -27.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.325 1.015 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.69 64.93 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.298 0.998 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.62 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 11.1 mtt180 -50.54 -44.27 82.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.499 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.7 Cg_endo -74.94 63.03 5.91 Favored 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.552 1.817 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.84 ' HE2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.5 -155.02 0.41 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.386 1.054 . . . . 0.0 110.976 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.89 -177.29 6.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 109.519 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.411 ' O ' ' OE1' ' A' ' 77' ' ' GLU . 2.7 mtt -90.27 -41.12 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.351 1.032 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 5.3 tt0 -53.72 -23.09 10.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.614 1.196 . . . . 0.0 110.247 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 2.1 pt-20 -86.03 -10.05 55.7 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.61 1.194 . . . . 0.0 110.177 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.84 HD21 ' HE2' ' A' ' 71' ' ' PHE . 89.8 mt -78.39 -53.46 7.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.437 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.668 ' O ' HD23 ' A' ' 80' ' ' LEU . 1.1 pm0 -50.45 -65.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.318 1.011 . . . . 0.0 110.304 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.418 ' H ' HG23 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -50.26 -22.58 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 1.2 m-80 -87.96 67.74 9.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 77' ' ' GLU . 4.0 pp -141.07 150.25 42.69 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.381 1.051 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.09 -44.98 5.3 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.382 1.051 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.07 178.27 2.98 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.334 1.021 . . . . 0.0 109.827 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -158.94 176.96 11.66 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.88 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -141.72 19.31 2.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.1 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.64 -165.03 25.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.627 1.205 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -102.79 152.19 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.553 0.796 . . . . 0.0 110.133 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.71 ' O ' HD12 ' A' ' 87' ' ' ILE . 1.2 pp -143.21 130.62 18.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.129 . . . . 0.0 109.499 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -129.67 163.19 26.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.376 1.048 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.31 147.49 46.95 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -112.45 -175.47 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -29.28 -52.99 0.12 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 124.38 1.05 . . . . 0.0 110.364 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -155.9 66.25 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -176.4 169.8 2.62 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.529 HD11 ' HE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -132.11 129.17 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.683 1.239 . . . . 0.0 109.371 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.79 167.15 11.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.629 1.206 . . . . 0.0 110.456 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CD2' HG22 ' A' ' 87' ' ' ILE . 4.2 m-85 -137.68 142.35 41.1 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.552 1.157 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 2.9 p90 -160.5 104.85 1.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.311 1.007 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.732 ' HB2' HG13 ' A' ' 13' ' ' VAL . 6.2 t80 -45.94 -32.34 2.66 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.576 1.172 . . . . 0.0 111.171 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.555 0 O-C-N 124.522 1.139 . . . . 0.0 109.442 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.599 ' HA ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 m120 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -134.75 -75.75 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.341 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -149.46 144.52 26.38 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.058 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 2.6 m -90.52 132.13 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 O-C-N 124.256 0.973 . . . . 0.0 109.209 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.816 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -132.72 80.17 0.33 Allowed Glycine 0 CA--C 1.528 0.851 0 O-C-N 124.593 1.183 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.729 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.2 Cg_endo -75.14 132.85 15.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.38 1.726 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 15' ' ' PRO . 13.1 mm -122.63 85.68 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.427 1.08 . . . . 0.0 109.351 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.8 pt -105.64 173.75 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 O-C-N 124.389 1.056 . . . . 0.0 109.259 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.95 172.04 12.35 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.67 149.78 23.79 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.707 1.254 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.96 -95.99 0.52 Allowed Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -179.05 149.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.577 0.81 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 5.7 mp 67.09 18.01 10.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 109.1 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.484 HG11 HG21 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -78.17 -13.74 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.529 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -73.75 -58.65 2.12 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 110.117 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.5 Cg_endo -75.0 -10.83 21.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.416 1.745 . . . . 0.0 111.004 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.815 HG13 HD21 ' A' ' 63' ' ' LEU . 9.4 t -89.15 -43.36 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 O-C-N 124.314 1.009 . . . . 0.0 109.423 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.746 HD11 HD13 ' A' ' 50' ' ' ILE . 5.2 tp -66.82 -32.92 60.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.578 1.174 . . . . 0.0 109.36 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.92 -46.4 62.56 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.396 1.06 . . . . 0.0 110.359 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m -69.94 -29.99 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.355 1.034 . . . . 0.0 110.406 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.63 -19.58 59.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.204 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' ASN . 74.1 mt-10 -82.82 -45.24 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.07 . . . . 0.0 110.351 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 28' ' ' GLU . 5.9 pt -62.22 -28.02 43.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.635 1.209 . . . . 0.0 109.352 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -54.68 -37.91 66.33 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.402 1.064 . . . . 0.0 109.326 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -114.8 158.77 39.65 Favored Pre-proline 0 C--N 1.329 -0.326 0 O-C-N 124.63 1.206 . . . . 0.0 109.162 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 44.21 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.541 1.811 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 34' ' ' ASN . . . -95.77 59.08 1.52 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.358 1.036 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 54.41 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.562 0.801 . . . . 0.0 109.199 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.22 49.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.68 1.237 . . . . 0.0 110.194 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.7 mt -116.49 130.91 70.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 124.746 1.279 . . . . 0.0 109.24 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.6 m -103.14 126.62 50.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.627 1.204 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.899 HG22 HG23 ' A' ' 50' ' ' ILE . 39.5 t -116.37 145.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.253 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.0 96.38 3.63 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.04 107.7 19.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -82.96 -73.13 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.427 1.079 . . . . 0.0 110.169 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.01 -47.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 110.228 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.46 -27.67 29.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -149.3 163.34 37.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.484 HG21 HG11 ' A' ' 23' ' ' VAL . 10.2 t -122.07 125.09 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -120.62 149.0 43.15 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.604 1.19 . . . . 0.0 110.208 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.899 HG23 HG22 ' A' ' 41' ' ' VAL . 7.7 mt -130.32 169.41 21.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.554 1.159 . . . . 0.0 109.372 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.5 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -144.71 93.18 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.058 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . . . -100.24 177.23 5.12 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.271 0.982 . . . . 0.0 109.374 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.74 -37.65 73.47 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.53 1.144 . . . . 0.0 110.488 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.733 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . 136.54 -56.08 0.7 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.77 97.08 10.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.578 0.81 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.995 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 9.1 mt -144.96 175.4 10.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.721 1.263 . . . . 0.0 109.423 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.438 HG23 ' C ' ' A' ' 56' ' ' LEU . 1.7 pp -152.84 143.16 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 94' ' ' ILE . 3.3 mt -127.44 144.56 51.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.9 p -137.8 11.75 2.91 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 110.546 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.64 46.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.208 . . . . 0.0 110.312 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -20.1 65.08 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.331 1.019 . . . . 0.0 109.381 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -43.78 59.84 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.718 1.261 . . . . 0.0 110.292 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.815 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.74 -38.09 88.15 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.2 mt-10 -75.06 -36.46 61.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.669 1.231 . . . . 0.0 110.368 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -69.06 -39.69 78.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.102 . . . . 0.0 110.43 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.486 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.6 mm-40 -63.59 -50.85 67.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.73 HD21 HG21 ' A' ' 26' ' ' VAL . 14.7 mt -44.49 -26.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.78 65.02 0.32 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.23 0.957 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.3 mtt180 -55.38 -42.86 98.17 Favored Pre-proline 0 N--CA 1.451 -0.393 0 O-C-N 124.467 0.746 . . . . 0.0 110.315 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.1 Cg_endo -75.06 62.86 5.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.562 1.822 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.25 -157.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 111.063 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.579 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.79 161.1 31.95 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.669 1.231 . . . . 0.0 109.238 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -61.55 -27.95 68.98 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.745 1.278 . . . . 0.0 110.997 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 78' ' ' ILE . 4.3 tt0 -56.26 -31.71 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.418 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.15 -20.1 60.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.69 -52.96 17.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.437 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' HD21 ' A' ' 80' ' ' LEU . 14.3 tt0 -48.85 -29.0 4.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.244 0.965 . . . . 0.0 110.196 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.669 ' O ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -90.33 -37.17 9.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.479 1.112 . . . . 0.0 109.385 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -73.92 70.3 1.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.572 1.17 . . . . 0.0 109.407 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 80' ' ' LEU . 2.4 pp -161.23 105.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 109.146 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -67.95 -50.93 53.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.419 1.074 . . . . 0.0 109.413 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -162.34 -164.58 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.368 1.043 . . . . 0.0 109.96 -179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' A' ' 82' ' ' SER . 29.4 m-85 -166.76 -173.03 2.28 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.281 0.988 . . . . 0.0 110.82 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.816 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -129.87 -45.48 1.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.203 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.72 -147.26 9.33 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.634 1.208 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -105.58 166.17 10.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.353 0.678 . . . . 0.0 110.396 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.841 HD13 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -152.06 135.88 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.633 1.208 . . . . 0.0 109.245 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.841 ' N ' HD13 ' A' ' 87' ' ' ILE . 15.6 mm-40 -135.01 162.92 31.09 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.3 153.69 51.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.205 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 4.3 t70 -118.23 -175.58 2.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.3 pp20? -33.63 -48.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.196 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -154.82 60.4 0.67 Allowed 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.48 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.7 pt20 -164.09 165.77 21.99 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 124.609 1.193 . . . . 0.0 110.245 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.659 HG13 HD11 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -139.82 114.63 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 O-C-N 124.605 1.191 . . . . 0.0 109.198 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.497 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -105.82 155.73 19.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.414 1.071 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -123.98 147.94 47.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 110.957 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.497 ' CE2' ' HB2' ' A' ' 95' ' ' ARG . 34.2 m-85 -146.96 131.79 18.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.368 1.042 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD2' ' HA3' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -79.99 17.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.598 1.186 . . . . 0.0 110.98 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.249 0.968 . . . . 0.0 109.162 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.581 ' HA ' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 179.74 -69.95 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -167.34 150.19 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.647 1.217 . . . . 0.0 109.286 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.053 HG23 ' HB3' ' A' ' 52' ' ' ALA . 3.7 m -129.81 -174.19 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.202 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -167.93 98.98 0.15 Allowed Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.414 1.071 . . . . 0.0 111.06 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.473 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 17.8 Cg_endo -75.04 110.95 3.21 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.411 1.743 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 17' ' ' ILE . 4.0 mm -99.45 141.76 16.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.657 1.223 . . . . 0.0 109.339 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 16' ' ' ILE . 23.0 pt -158.16 -179.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.402 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HD3' ' CB ' ' A' ' 79' ' ' ASN . 10.7 ptm180 -86.68 163.19 17.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.576 1.172 . . . . 0.0 110.402 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.72 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -81.36 158.96 24.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.22 -91.67 0.21 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.519 1.137 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -179.42 134.89 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.409 0.711 . . . . 0.0 109.213 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER 65.25 19.57 11.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 27' ' ' ILE . 1.6 t -79.1 -10.53 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.176 . . . . 0.0 109.266 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.1 mt-10 -77.98 -58.09 0.9 Allowed Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.574 1.171 . . . . 0.0 110.242 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.9 Cg_endo -74.92 -11.31 21.63 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.433 1.754 . . . . 0.0 111.042 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.902 HG13 HD11 ' A' ' 63' ' ' LEU . 21.3 t -90.21 -45.89 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.535 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 23' ' ' VAL . 5.3 tp -66.55 -32.3 57.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.66 1.225 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -73.52 -42.34 61.88 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.549 1.156 . . . . 0.0 110.228 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.6 m -74.39 -26.23 59.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.708 1.255 . . . . 0.0 110.298 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.27 -21.91 49.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.157 . . . . 0.0 109.49 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' OE2' ' CG2' ' A' ' 41' ' ' VAL . 29.4 mt-10 -79.11 -43.26 24.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 28' ' ' GLU . 8.8 pt -62.74 -35.95 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.341 1.026 . . . . 0.0 109.445 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.46 -39.98 64.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 124.282 0.989 . . . . 0.0 109.311 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -101.81 156.9 34.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.42 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 52.32 2.98 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.45 1.763 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.4 60.12 1.57 Allowed Glycine 0 CA--C 1.532 1.135 0 O-C-N 124.514 1.134 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 49.41 1.63 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.492 0.76 . . . . 0.0 109.18 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 179.32 47.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.685 1.241 . . . . 0.0 110.216 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.29 153.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.561 1.163 . . . . 0.0 109.411 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.4 m -128.68 123.99 34.55 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.557 1.161 . . . . 0.0 110.425 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.416 ' CG2' ' OE2' ' A' ' 31' ' ' GLU . 47.4 t -99.27 152.25 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -143.64 78.26 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.19 108.17 17.59 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.775 1.297 . . . . 0.0 109.243 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -80.49 -67.48 0.77 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 164.74 -48.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.183 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.1 -30.86 39.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.49 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -142.44 168.45 19.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.72 HG23 ' HA ' ' A' ' 19' ' ' ALA . 72.1 t -117.33 125.46 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 O-C-N 124.368 1.042 . . . . 0.0 109.205 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -113.0 137.46 51.36 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.312 1.007 . . . . 0.0 110.358 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 mt -130.31 146.37 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.36 1.038 . . . . 0.0 109.279 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.0 106.81 10.23 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.75 1.281 . . . . 0.0 109.251 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.053 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -92.46 154.03 18.75 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.603 1.189 . . . . 0.0 109.153 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -14.82 62.68 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.55 ' HA2' HG22 ' A' ' 13' ' ' VAL . . . 145.67 -74.05 0.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.069 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.776 ' C ' HD22 ' A' ' 56' ' ' LEU . 6.6 pt-20 -103.87 119.54 39.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.676 0.868 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.973 HD23 ' HB1' ' A' ' 52' ' ' ALA . 3.7 mm? -136.04 166.38 23.49 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.444 1.09 . . . . 0.0 109.147 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.426 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -150.37 138.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.529 ' HB2' HG23 ' A' ' 94' ' ' ILE . 1.1 mt -133.74 146.49 50.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.628 1.205 . . . . 0.0 109.386 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.4 p -143.11 14.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.256 0.972 . . . . 0.0 110.618 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.91 47.44 1.4 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.63 1.206 . . . . 0.0 110.262 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -20.59 63.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.304 1.002 . . . . 0.0 109.253 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -47.41 67.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.441 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.902 HD11 HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.33 -36.84 82.26 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.711 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.11 -14.75 59.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.706 1.254 . . . . 0.0 110.408 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.79 -31.18 17.51 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.62 1.2 . . . . 0.0 110.424 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.43 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 mt-30 -80.11 -43.5 21.6 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.649 1.218 . . . . 0.0 110.325 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.626 HD11 HG11 ' A' ' 26' ' ' VAL . 16.3 mt -40.0 -30.91 0.1 Allowed 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.378 1.049 . . . . 0.0 109.491 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.95 65.74 0.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 110.924 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.1 mtp-105 -50.78 -44.18 84.46 Favored Pre-proline 0 C--N 1.322 -0.591 0 O-C-N 124.461 0.742 . . . . 0.0 110.263 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.8 Cg_endo -74.92 64.0 5.95 Favored 'Trans proline' 0 C--N 1.362 1.267 0 O-C-N 124.335 1.702 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.72 -154.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.574 1.171 . . . . 0.0 110.96 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.596 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.53 -169.14 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 109.152 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.4 ptm -90.3 -18.88 24.8 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.51 1.131 . . . . 0.0 110.917 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -63.34 -32.12 73.45 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.566 ' OE2' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -71.0 -25.35 62.65 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.682 1.239 . . . . 0.0 110.227 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 80' ' ' LEU . 6.0 mp -66.76 -55.34 15.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.658 1.224 . . . . 0.0 109.194 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.611 ' O ' HD22 ' A' ' 80' ' ' LEU . 16.0 tt0 -66.31 -15.38 63.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.37 1.044 . . . . 0.0 110.251 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -90.2 -49.82 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.167 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.41 ' CB ' ' HD3' ' A' ' 18' ' ' ARG . 59.0 m-20 -69.77 64.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.231 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -117.76 160.7 20.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.447 ' HB3' ' CA ' ' A' ' 17' ' ' ILE . . . -131.86 -67.7 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.368 1.042 . . . . 0.0 109.144 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.594 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -156.73 -176.91 6.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.888 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.61 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 3.6 m-85 -165.49 172.41 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -105.98 -37.86 6.51 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.415 1.072 . . . . 0.0 109.453 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.35 -108.69 1.14 Allowed Glycine 0 CA--C 1.533 1.178 0 O-C-N 124.552 1.158 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.86 175.7 10.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 0.8 . . . . 0.0 110.28 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.61 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -132.77 170.3 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.279 0.987 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -155.47 112.75 3.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.656 1.223 . . . . 0.0 110.393 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' GLN . . . -99.85 132.21 45.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 109.101 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.8 t0 -92.77 -170.5 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -36.58 -42.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.302 1.002 . . . . 0.0 110.139 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -159.28 53.18 0.39 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.708 1.255 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 5.9 mt-30 -149.6 172.55 14.85 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.625 1.203 . . . . 0.0 110.363 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' ' 58' ' ' LEU . 4.1 tt -146.07 107.91 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.374 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.32 167.45 10.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.445 ' CD1' HG22 ' A' ' 87' ' ' ILE . 20.5 m-85 -133.71 161.0 35.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.675 1.234 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 97' ' ' TYR . 36.6 p90 -173.54 116.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.364 1.04 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.701 ' HB3' HG13 ' A' ' 13' ' ' VAL . 3.0 p90 -40.25 -48.47 2.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.406 ' N ' ' CD1' ' A' ' 98' ' ' PHE . 7.1 m-20 . . . . . 0 C--N 1.323 -0.577 0 O-C-N 124.46 1.1 . . . . 0.0 109.206 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -141.21 -89.72 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.469 1.106 . . . . 0.0 109.209 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 8.3 p-10 -161.4 152.33 18.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 53' ' ' GLU . 1.4 m -103.0 161.6 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 124.443 1.09 . . . . 0.0 109.188 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.531 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -147.87 84.96 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.189 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.629 ' O ' HD12 ' A' ' 16' ' ' ILE . 18.3 Cg_endo -75.0 120.56 6.12 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.58 1.832 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 15' ' ' PRO . 1.1 mp -114.47 116.86 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 80' ' ' LEU . 4.7 pt -139.87 177.81 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.175 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.9 165.52 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -90.14 128.69 36.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.63 1.206 . . . . 0.0 109.354 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.44 -78.34 1.33 Allowed Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.298 0.999 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -177.37 124.69 0.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.625 0.838 . . . . 0.0 109.492 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER 66.55 16.92 10.54 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.69 HG11 HG21 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -79.47 -13.85 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 124.352 1.032 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.526 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -72.97 -58.54 2.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.664 1.227 . . . . 0.0 110.134 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.526 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.7 Cg_endo -74.9 -12.34 21.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.087 HG13 HD11 ' A' ' 63' ' ' LEU . 6.3 t -87.03 -42.72 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.467 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.785 ' CG1' HD11 ' A' ' 50' ' ' ILE . 7.0 tp -67.98 -39.89 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.895 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -65.21 -42.17 93.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 110.216 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -74.66 -29.78 61.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.06 -16.12 58.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.642 1.214 . . . . 0.0 109.449 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.49 -39.28 12.69 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.895 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.4 pp -68.98 -25.26 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 109.193 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.93 -31.47 59.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 35.4 t30 -106.72 109.73 63.29 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.703 1.252 . . . . 0.0 109.103 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 17.9 Cg_endo -75.0 -161.53 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.66 -1.11 39.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.606 1.191 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -104.29 132.27 50.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.398 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.773 ' C ' HD12 ' A' ' 39' ' ' ILE . 13.9 pt-20 -168.59 58.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.773 HD12 ' C ' ' A' ' 38' ' ' GLU . 2.0 mp -125.33 -90.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.747 ' N ' HG22 ' A' ' 39' ' ' ILE . 14.9 t -169.27 167.57 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.344 1.027 . . . . 0.0 110.204 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.89 HG22 HG23 ' A' ' 50' ' ' ILE . 3.6 t -139.24 148.44 23.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 O-C-N 124.512 1.132 . . . . 0.0 109.204 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -115.59 70.14 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.647 1.217 . . . . 0.0 110.145 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.447 ' OD1' ' CG1' ' A' ' 41' ' ' VAL . 44.2 m-20 -95.41 80.34 3.5 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 9.1 tpt85 -80.42 -66.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER 162.79 -49.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.759 1.287 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.87 95.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -133.22 171.18 14.37 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.378 1.049 . . . . 0.0 111.136 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.69 HG21 HG11 ' A' ' 23' ' ' VAL . 39.1 t -124.75 116.16 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 124.593 1.183 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.603 ' HG3' HD11 ' A' ' 16' ' ' ILE . 19.0 ttt180 -129.27 145.78 51.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.317 1.011 . . . . 0.0 110.345 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.89 HG23 HG22 ' A' ' 41' ' ' VAL . 58.4 mt -138.29 160.39 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.132 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -148.81 132.81 17.18 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.618 1.199 . . . . 0.0 109.26 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.754 ' HA ' HD13 ' A' ' 39' ' ' ILE . . . -176.62 174.14 1.9 Allowed 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -41.94 163.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.7 49.02 1.83 Allowed Glycine 0 CA--C 1.527 0.817 0 O-C-N 124.627 1.205 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -162.49 63.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.368 0.687 . . . . 0.0 110.397 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -103.3 168.73 8.98 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.591 1.182 . . . . 0.0 109.311 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 56' ' ' LEU . 2.2 pp -151.13 135.27 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.653 1.221 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.11 129.97 45.88 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.634 1.209 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.3 p -122.73 10.38 9.63 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.539 1.15 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -87.87 33.86 0.72 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -19.16 13.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.442 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 63' ' ' LEU . 11.1 t -69.84 -49.0 56.81 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.087 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.36 -38.39 89.93 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.557 1.161 . . . . 0.0 109.206 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.948 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -73.45 -26.04 60.76 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 124.367 1.042 . . . . 0.0 110.43 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.8 -38.8 45.76 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 68' ' ' GLY . 1.2 mm-40 -68.06 -47.76 67.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 110.115 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.809 HD11 HG11 ' A' ' 26' ' ' VAL . 56.3 mt -42.14 -28.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.19 65.33 0.31 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.622 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 8.0 mtt180 -50.35 -44.2 81.13 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.605 0.827 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.91 62.26 5.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.612 1.848 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.04 178.04 10.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.407 1.067 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' GLU . 0.9 OUTLIER -170.6 -168.8 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.238 0.961 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ASN . 5.6 ptt? -36.11 -55.95 0.76 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.296 0.998 . . . . 0.0 110.946 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -43.82 -45.13 7.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 110.21 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ASN . 2.3 mm-40 -75.09 -37.59 61.48 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.331 1.019 . . . . 0.0 110.097 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 71' ' ' PHE . 55.5 mt -57.91 -42.88 85.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.464 ' O ' HD11 ' A' ' 80' ' ' LEU . 15.1 tt0 -78.26 -13.27 59.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.064 . . . . 0.0 110.238 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -47.61 14.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.35 60.38 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.721 1.263 . . . . 0.0 109.37 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.696 ' HA ' HG22 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -151.94 162.52 40.93 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.162 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.442 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -134.97 -57.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.585 1.178 . . . . 0.0 109.246 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.546 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -151.79 -175.97 5.44 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.492 1.12 . . . . 0.0 109.913 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 82' ' ' SER . 85.1 m-85 -162.84 -174.59 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.397 1.06 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -126.68 -44.07 1.69 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -119.26 -139.43 5.99 Favored Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.377 1.048 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -116.25 172.41 7.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 0.732 . . . . 0.0 110.175 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.953 HD12 ' CE2' ' A' ' 96' ' ' PHE . 11.5 tt -143.5 151.35 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.424 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -141.32 158.16 44.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.143 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.2 138.31 43.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.326 1.016 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 0.6 OUTLIER -108.53 -174.4 2.51 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.6 pt-20 -31.37 -55.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -149.71 62.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.271 0.982 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.49 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 1.2 pp0? -168.05 164.03 13.57 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.558 1.161 . . . . 0.0 110.398 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.716 HD11 HD11 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -143.56 118.52 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.19 163.85 13.48 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.953 ' CE2' HD12 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -133.58 146.16 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.742 1.276 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 54.2 p90 -159.76 152.92 21.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.59 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 83.2 t80 -115.95 71.88 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.184 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -132.15 -87.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.072 . . . . 0.0 109.496 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -153.91 127.11 8.45 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.589 1.181 . . . . 0.0 109.217 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.724 HG12 ' HA3' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -108.05 163.83 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.375 1.047 . . . . 0.0 109.244 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.684 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -158.5 83.99 0.13 Allowed Glycine 0 CA--C 1.527 0.8 0 O-C-N 124.624 1.202 . . . . 0.0 110.992 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.561 ' O ' HD12 ' A' ' 16' ' ' ILE . 18.8 Cg_endo -74.96 129.15 12.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.341 1.706 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.597 HG22 ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -111.06 109.93 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.591 1.182 . . . . 0.0 109.48 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -119.64 167.61 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.367 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 158.46 32.56 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.673 1.233 . . . . 0.0 110.256 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.406 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -90.27 107.67 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.397 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.99 -92.05 0.43 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 0.0 111.174 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.57 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.676 0.868 . . . . 0.0 109.137 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -106.65 18.9 21.27 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.577 1.173 . . . . 0.0 109.151 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.723 HG11 HG21 ' A' ' 48' ' ' VAL . 1.4 t -77.55 -10.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 124.627 1.204 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.55 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.3 OUTLIER -76.71 -59.32 0.99 Allowed Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.396 1.06 . . . . 0.0 110.178 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.55 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -74.88 -10.49 21.43 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.639 1.863 . . . . 0.0 110.938 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.942 HG11 HD11 ' A' ' 67' ' ' LEU . 16.4 t -89.92 -43.31 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.376 1.048 . . . . 0.0 109.188 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 23' ' ' VAL . 3.8 tp -70.64 -34.36 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.64 -42.74 70.43 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.686 1.241 . . . . 0.0 110.238 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 m -77.73 -26.37 49.97 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.462 1.101 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -79.63 -22.36 43.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -84.25 -42.61 15.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.665 1.228 . . . . 0.0 110.426 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.5 pp -65.22 -30.0 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.437 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -36.34 84.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.91 165.85 13.22 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.9 55.81 4.0 Favored 'Trans proline' 0 C--N 1.358 1.046 0 O-C-N 124.623 1.854 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.74 58.49 1.84 Allowed Glycine 0 CA--C 1.527 0.793 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 31.59 1.36 Allowed 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 124.323 0.661 . . . . 0.0 109.297 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 38' ' ' GLU . 3.2 pt-20 -178.31 59.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.222 0.951 . . . . 0.0 110.268 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 40' ' ' THR . 41.9 mm -120.64 165.16 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.357 1.036 . . . . 0.0 109.432 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.492 ' N ' HG22 ' A' ' 39' ' ' ILE . 6.2 m -131.27 113.48 13.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.333 1.021 . . . . 0.0 110.305 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.38 144.99 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.176 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.42 82.08 2.0 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.687 1.242 . . . . 0.0 110.254 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.77 98.03 9.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.625 1.203 . . . . 0.0 109.331 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -79.98 -76.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.313 1.008 . . . . 0.0 110.36 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.01 -46.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.108 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' CD1' ' A' ' 47' ' ' TYR . . . -76.98 -33.38 57.63 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 33.7 m-85 -145.96 177.94 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.723 HG21 HG11 ' A' ' 23' ' ' VAL . 38.5 t -120.07 128.48 75.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.703 1.252 . . . . 0.0 109.378 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 7.4 ttt180 -123.63 156.09 36.49 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.478 1.111 . . . . 0.0 110.205 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.468 HG22 ' H ' ' A' ' 51' ' ' ALA . 7.7 mt -141.15 168.51 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.468 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -148.71 116.47 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.32 1.013 . . . . 0.0 109.333 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -123.32 -174.5 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.302 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.03 -33.91 24.4 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.92 40.48 0.34 Allowed Glycine 0 CA--C 1.527 0.819 0 O-C-N 124.457 1.098 . . . . 0.0 111.25 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 55' ' ' GLU . 4.2 pt-20 -178.03 110.78 0.07 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.33 0.665 . . . . 0.0 110.293 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.542 HD11 ' CB ' ' A' ' 52' ' ' ALA . 16.9 mt -146.95 167.74 23.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 109.215 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.49 123.96 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.353 1.033 . . . . 0.0 109.555 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.08 123.78 43.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 0.0 109.247 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.1 p -119.64 6.38 11.02 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.628 1.205 . . . . 0.0 110.438 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.52 46.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.179 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -21.73 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.269 0.981 . . . . 0.0 109.416 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 63' ' ' LEU . 8.8 t -70.38 -51.91 26.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.698 1.249 . . . . 0.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.772 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -67.89 -29.11 68.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.694 1.246 . . . . 0.0 109.166 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.618 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.7 mt-10 -80.11 -24.07 40.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.15 -35.26 31.72 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.562 1.164 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -70.96 -46.19 62.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.346 1.029 . . . . 0.0 110.234 179.845 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.942 HD11 HG11 ' A' ' 26' ' ' VAL . 21.5 mt -40.78 -31.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.66 65.3 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.623 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 22.2 mtp180 -51.81 -44.05 89.97 Favored Pre-proline 0 C--N 1.322 -0.618 0 O-C-N 124.525 0.78 . . . . 0.0 110.347 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.0 64.64 6.06 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.414 1.744 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.971 ' CE2' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.88 -169.99 2.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.827 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -171.39 -175.52 1.65 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.311 1.007 . . . . 0.0 109.34 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.491 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -49.34 -75.1 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.324 1.015 . . . . 0.0 111.122 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.477 ' HB2' ' CE ' ' A' ' 73' ' ' MET . 1.9 tt0 -38.44 -52.98 1.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.523 1.14 . . . . 0.0 110.49 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -62.28 -39.19 92.12 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.634 1.209 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.971 HD11 ' CE2' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -52.31 -52.96 50.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 124.361 1.038 . . . . 0.0 109.362 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.63 ' O ' HD21 ' A' ' 80' ' ' LEU . 6.9 tt0 -63.11 -15.9 58.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.183 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -90.56 -38.55 10.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.36 1.038 . . . . 0.0 109.316 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -79.29 66.25 4.69 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.581 1.176 . . . . 0.0 109.247 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.63 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -146.09 166.58 25.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.622 1.201 . . . . 0.0 109.287 179.723 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.597 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -118.3 -54.1 2.31 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.594 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -170.74 179.53 3.19 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 82' ' ' SER . 42.2 m-85 -164.92 152.85 11.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.635 1.21 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.684 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -108.08 -21.91 12.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.724 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -119.78 -160.2 11.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -111.86 168.85 9.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.594 0.82 . . . . 0.0 110.369 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.533 HG22 ' CD2' ' A' ' 96' ' ' PHE . 1.8 pt -149.8 151.06 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 109.181 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 89' ' ' ALA . 2.3 tt0 -148.34 138.46 22.52 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.329 1.018 . . . . 0.0 110.179 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 88' ' ' GLN . . . -110.46 149.08 30.81 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.258 0.974 . . . . 0.0 109.145 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -120.41 -173.63 2.61 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.398 1.061 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.1 pt-20 -29.72 -61.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 92' ' ' ASP . 9.6 p-10 -146.97 60.86 1.19 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.699 1.25 . . . . 0.0 109.434 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 4.9 pt20 -173.44 179.16 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.353 1.033 . . . . 0.0 110.249 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.51 HD11 ' HE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -160.83 126.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 0.0 109.192 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.21 137.1 54.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.533 ' CD2' HG22 ' A' ' 87' ' ' ILE . 4.1 m-85 -95.37 156.74 16.19 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -176.84 150.44 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.71 1.256 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.537 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -104.91 -20.77 13.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.754 HD21 ' N ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.69 -63.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.403 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -162.04 176.22 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.096 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 2.0 m -106.14 132.49 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.421 1.076 . . . . 0.0 109.269 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.563 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -136.07 73.22 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.407 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.1 Cg_endo -75.13 132.39 15.2 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.648 1.868 . . . . 0.0 110.796 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 15' ' ' PRO . 4.5 mm -123.15 139.23 50.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.372 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 pt -150.87 161.96 3.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 8.4 ptm180 -99.35 51.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.419 1.074 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.65 ' HB3' HG23 ' A' ' 48' ' ' VAL . . . -57.79 -161.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.338 1.024 . . . . 0.0 109.187 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.16 46.92 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.254 0.971 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -147.02 -65.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.388 0.699 . . . . 0.0 109.403 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -148.57 21.4 1.04 Allowed 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' HB ' ' HB1' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -78.34 -10.77 13.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 124.516 1.135 . . . . 0.0 109.192 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.5 mt-10 -74.84 -58.96 1.53 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.326 1.016 . . . . 0.0 110.198 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.9 Cg_endo -75.1 -13.48 21.19 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.501 1.79 . . . . 0.0 110.777 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.122 HG22 HD11 ' A' ' 63' ' ' LEU . 4.5 t -85.11 -40.92 15.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 124.648 1.217 . . . . 0.0 109.195 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 24' ' ' GLU . 6.8 tp -71.58 -40.66 71.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.293 0.996 . . . . 0.0 109.411 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.879 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -62.78 -39.75 95.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.352 1.032 . . . . 0.0 110.13 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.0 m -78.73 -31.39 46.35 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.58 58.78 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -87.29 -40.96 14.03 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.544 1.153 . . . . 0.0 110.4 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.879 HG23 ' O ' ' A' ' 28' ' ' GLU . 9.6 pt -63.27 -34.56 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.118 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.32 -39.32 79.1 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -96.14 177.34 1.77 Allowed Pre-proline 0 N--CA 1.449 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.386 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 18.2 Cg_endo -75.09 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.395 1.734 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' PRO . . . 37.71 31.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.407 1.067 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -90.78 33.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 0.762 . . . . 0.0 109.276 -179.852 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.48 ' C ' HD12 ' A' ' 39' ' ' ILE . 5.5 pt-20 179.59 46.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.48 HD12 ' C ' ' A' ' 38' ' ' GLU . 1.5 mp -144.56 161.46 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.657 1.223 . . . . 0.0 109.178 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 22.7 m -128.6 154.77 45.88 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.444 1.09 . . . . 0.0 110.394 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 42' ' ' GLU . 60.2 t -117.1 162.5 15.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 124.552 1.158 . . . . 0.0 109.459 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -141.61 84.98 1.93 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -94.91 122.08 37.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.63 1.206 . . . . 0.0 109.36 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 25.2 tpt180 -94.23 -42.43 8.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.41 1.069 . . . . 0.0 110.245 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 158.68 -65.76 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.381 1.051 . . . . 0.0 110.154 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' ALA . . . -85.72 -60.07 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.14 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 18' ' ' ARG . 54.9 m-85 -75.67 179.34 5.44 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.696 1.247 . . . . 0.0 110.766 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 19' ' ' ALA . 55.1 t -147.08 125.92 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.626 1.204 . . . . 0.0 109.205 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 20.2 ttt180 -125.67 155.58 40.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.353 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.441 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 12.9 mt -132.83 153.32 37.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 0.0 109.346 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.99 79.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.224 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.096 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . . . -92.26 174.76 7.13 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.637 1.211 . . . . 0.0 109.189 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -90.2 -132.7 0.1 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.49 1.119 . . . . 0.0 110.454 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.567 ' HA2' ' CD2' ' A' ' 98' ' ' PHE . . . -53.67 -96.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.311 1.007 . . . . 0.0 110.783 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.485 ' C ' HD22 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -122.6 146.66 47.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.407 0.71 . . . . 0.0 110.343 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.719 ' CD2' ' HB1' ' A' ' 52' ' ' ALA . 4.2 mm? -120.47 -173.1 2.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.282 0.989 . . . . 0.0 109.489 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.802 HD12 ' H ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -147.8 149.19 15.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.802 ' H ' HD12 ' A' ' 57' ' ' ILE . 44.4 mt -148.87 129.75 14.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.409 1.068 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.9 p -117.05 12.67 14.63 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.342 1.026 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.51 32.5 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.41 1.069 . . . . 0.0 110.202 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -56.55 -24.56 47.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.627 1.204 . . . . 0.0 109.19 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 t -73.57 -35.41 65.45 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.294 0.996 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.122 HD11 HG22 ' A' ' 26' ' ' VAL . 1.9 tp -69.49 -43.85 72.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.564 1.165 . . . . 0.0 109.417 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -34.88 66.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.14 . . . . 0.0 110.183 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.62 -38.94 73.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.364 1.04 . . . . 0.0 110.181 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.2 mt-30 -62.12 -47.71 83.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.668 1.23 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.085 HD11 HG21 ' A' ' 26' ' ' VAL . 79.0 mt -39.58 -31.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.782 1.301 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.619 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -158.39 65.89 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.573 1.171 . . . . 0.0 110.92 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 43.1 mtm180 -52.16 -44.01 91.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.85 61.29 5.51 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.35 -160.42 0.84 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.657 1.223 . . . . 0.0 110.989 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.559 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -149.02 -165.17 2.21 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.564 1.165 . . . . 0.0 109.202 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -14.82 59.21 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.477 1.11 . . . . 0.0 110.941 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -58.25 -47.01 84.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' ASN . 2.0 mt-10 -53.99 -31.15 49.99 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.358 1.036 . . . . 0.0 110.188 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.98 -49.97 72.58 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.48 1.113 . . . . 0.0 109.225 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.91 -18.44 50.54 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.488 1.118 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.701 HG22 ' N ' ' A' ' 79' ' ' ASN . 1.2 mp -85.93 -68.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.163 . . . . 0.0 109.237 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.701 ' N ' HG22 ' A' ' 78' ' ' ILE . 94.8 m-20 -71.9 77.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.599 1.187 . . . . 0.0 109.174 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -146.09 163.83 34.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.705 1.253 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.47 -62.87 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.5 1.125 . . . . 0.0 109.124 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.551 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -154.81 -178.16 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.083 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 82' ' ' SER . 33.7 m-85 -169.73 175.79 5.14 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.563 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -116.16 -74.32 0.61 Allowed 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.541 1.15 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.42 -137.16 6.26 Favored Glycine 0 CA--C 1.533 1.196 0 O-C-N 124.566 1.167 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.68 176.93 7.91 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 124.565 0.803 . . . . 0.0 110.289 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.58 ' CG2' ' CZ ' ' A' ' 96' ' ' PHE . 19.4 pt -135.63 155.82 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.733 1.271 . . . . 0.0 109.265 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -135.43 138.37 43.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.254 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.12 131.66 56.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 5.2 t0 -100.65 -177.53 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.38 1.05 . . . . 0.0 109.146 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.8 pt-20 -33.53 -54.99 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -147.24 60.84 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.76 ' NE2' HH11 ' A' ' 95' ' ' ARG . 0.0 OUTLIER -170.19 170.83 7.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.21 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.769 HD13 ' N ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -150.51 139.52 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.602 1.189 . . . . 0.0 109.376 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.769 ' N ' HD13 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -132.96 175.97 8.9 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.333 1.02 . . . . 0.0 110.254 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.58 ' CZ ' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -132.43 160.42 36.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CE2' ' HG3' ' A' ' 95' ' ' ARG . 98.4 m-85 -148.34 143.27 26.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -85.8 14.35 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.061 . . . . 0.0 110.943 -179.848 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.626 1.204 . . . . 0.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -139.22 149.17 44.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.404 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.49 174.3 10.02 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.49 1.119 . . . . 0.0 109.404 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.12 162.23 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.047 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.83 159.14 40.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.533 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.94 153.93 38.68 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.369 1.043 . . . . 0.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.8 44.34 1.18 Allowed 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.535 HD22 HG22 ' A' ' 101' ' ' THR . 16.4 mt -82.29 83.83 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.33 1.019 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.568 ' CE1' ' OD1' ' A' ' 10' ' ' ASN . 21.3 t60 -174.59 173.17 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.703 1.252 . . . . 0.0 109.546 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.568 ' OD1' ' CE1' ' A' ' 9' ' ' HIS . 9.0 p-10 -74.02 143.36 45.57 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.41 1.069 . . . . 0.0 109.369 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 12.3 m-20 -139.57 -74.26 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.658 1.224 . . . . 0.0 109.302 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -161.29 128.7 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.175 . . . . 0.0 109.135 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.796 HG13 ' HB2' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -102.22 137.04 31.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.707 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -120.96 77.26 0.32 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.481 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.4 Cg_endo -74.82 122.4 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.42 1.747 . . . . 0.0 111.196 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 49' ' ' ARG . 4.8 mm -116.74 126.43 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.93 150.66 16.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 O-C-N 124.856 1.347 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -52.43 165.23 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 0.0 110.411 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . -108.0 165.34 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.95 -87.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -177.95 155.15 0.96 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.552 0.795 . . . . 0.0 109.173 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.4 mp 67.8 16.69 9.73 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.697 1.248 . . . . 0.0 109.251 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.411 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -81.16 -12.73 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.491 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -74.26 -57.65 2.16 Favored Pre-proline 0 N--CA 1.45 -0.438 0 O-C-N 124.355 1.034 . . . . 0.0 110.138 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.8 Cg_endo -75.05 -15.34 20.69 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 124.409 1.742 . . . . 0.0 111.011 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.114 HG13 HD21 ' A' ' 63' ' ' LEU . 6.5 t -83.62 -42.1 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 24' ' ' GLU . 8.6 tp -67.22 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.376 1.047 . . . . 0.0 109.162 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.953 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -65.39 -39.35 92.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.41 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 m -79.3 -26.12 42.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.76 1.287 . . . . 0.0 110.507 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.32 -16.6 48.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.2 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -89.16 -36.53 15.63 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.1 pp -70.94 -31.31 44.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.176 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -58.61 -26.84 64.11 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.488 1.117 . . . . 0.0 109.211 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -115.79 146.21 36.36 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.486 1.116 . . . . 0.0 109.402 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 55.62 4.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.621 1.853 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' CA ' HD13 ' A' ' 39' ' ' ILE . . . -95.41 61.53 1.49 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.02 46.13 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.525 0.779 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.55 ' C ' HD12 ' A' ' 39' ' ' ILE . 6.4 pt-20 179.49 49.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.387 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.55 HD12 ' C ' ' A' ' 38' ' ' GLU . 2.6 mp -130.12 163.87 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.4 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.493 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 5.6 m -132.86 143.14 49.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 42' ' ' GLU . 85.7 t -112.12 163.31 9.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' HG12 ' A' ' 41' ' ' VAL . 3.2 mt-10 -147.28 70.77 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.576 ' OD1' HG13 ' A' ' 48' ' ' VAL . 29.5 m-20 -93.16 109.07 20.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 109.228 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 15.9 tpt180 -81.39 -57.28 3.55 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.541 1.151 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 162.66 -47.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.237 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -76.65 -41.99 43.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 109.413 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -128.7 167.57 17.04 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.578 1.174 . . . . 0.0 111.166 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.576 HG13 ' OD1' ' A' ' 43' ' ' ASP . 47.3 t -123.78 117.36 50.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.365 1.041 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HB2' HD12 ' A' ' 16' ' ' ILE . 27.1 ttt180 -119.79 148.95 42.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.33 1.018 . . . . 0.0 110.387 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 51' ' ' ALA . 18.1 mt -134.42 168.55 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.234 0.959 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.489 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -145.28 82.24 1.65 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.75 1.281 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -88.06 178.8 6.55 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.421 1.076 . . . . 0.0 109.205 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.3 tt0 -68.11 -54.43 18.19 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.522 ' H ' HD21 ' A' ' 56' ' ' LEU . . . 161.76 -50.68 0.34 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.308 1.005 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.654 ' O ' HD13 ' A' ' 56' ' ' LEU . 30.8 tt0 -99.43 96.12 7.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 0.818 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 55' ' ' GLU . 2.0 mm? -126.9 164.72 20.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 0.0 109.374 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.914 ' O ' HD12 ' A' ' 57' ' ' ILE . 2.7 pp -148.54 116.83 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.65 140.96 42.87 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.639 1.212 . . . . 0.0 109.443 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.4 p -129.82 14.47 5.86 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.649 1.218 . . . . 0.0 110.333 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.05 33.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.508 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -22.11 61.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.672 1.232 . . . . 0.0 109.26 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -69.81 -48.17 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.399 1.062 . . . . 0.0 110.307 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.114 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -63.16 -34.12 76.95 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.605 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.72 -22.13 47.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.725 1.265 . . . . 0.0 110.245 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -37.75 26.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.456 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.482 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -65.04 -40.3 94.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 110.353 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 26' ' ' VAL . 35.3 mt -42.21 -28.43 0.19 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.275 0.984 . . . . 0.0 109.166 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.611 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.18 65.6 0.3 Allowed Glycine 0 CA--C 1.532 1.151 0 O-C-N 124.527 1.142 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.621 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 35.1 mtm180 -53.53 -43.56 95.98 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.622 0.836 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 17.9 Cg_endo -74.96 62.37 5.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.645 1.866 . . . . 0.0 111.109 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.16 -157.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.6 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -140.61 -166.25 2.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.562 1.164 . . . . 0.0 109.502 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.561 ' HA ' HD13 ' A' ' 76' ' ' LEU . 28.0 mtt -89.83 -17.34 28.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.434 1.083 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.77 -28.95 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.383 1.052 . . . . 0.0 110.225 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.58 -35.09 78.35 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.326 1.016 . . . . 0.0 110.136 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 73' ' ' MET . 3.9 mp -61.49 -59.43 5.24 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.833 ' O ' HD22 ' A' ' 80' ' ' LEU . 50.4 tt0 -61.58 -13.49 22.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 110.15 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -87.36 -44.1 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.404 1.065 . . . . 0.0 109.321 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.503 ' O ' HD12 ' A' ' 80' ' ' LEU . 43.1 m-20 -70.73 60.84 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.536 1.147 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.833 HD22 ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -118.05 141.94 47.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.47 -52.24 1.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.539 1.149 . . . . 0.0 109.391 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.418 ' N ' ' HB ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -166.12 170.99 12.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.66 1.225 . . . . 0.0 110.055 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -153.84 172.82 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.646 1.216 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.707 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -131.13 -45.14 1.02 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.348 1.03 . . . . 0.0 109.407 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.0 -146.26 10.12 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -111.2 177.07 4.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.442 0.731 . . . . 0.0 110.271 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.888 HD13 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -159.95 148.19 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 124.63 1.206 . . . . 0.0 109.376 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.888 ' N ' HD13 ' A' ' 87' ' ' ILE . 28.6 mt-30 -143.17 117.87 9.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 110.367 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -96.16 151.3 19.61 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' CD ' ' A' ' 93' ' ' GLN . 10.0 t70 -119.15 -176.31 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 90' ' ' ASP . 6.2 pt-20 -34.15 -52.51 0.46 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.555 1.16 . . . . 0.0 110.197 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -149.72 59.75 1.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.349 1.031 . . . . 0.0 109.143 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.492 ' NE2' ' NE ' ' A' ' 95' ' ' ARG . 1.6 pt20 -163.63 164.99 23.86 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 124.596 1.185 . . . . 0.0 110.222 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.585 HG13 HD11 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -142.24 112.95 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.668 1.23 . . . . 0.0 109.316 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.492 ' NE ' ' NE2' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -110.79 132.8 53.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.601 1.188 . . . . 0.0 110.421 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.11 138.25 44.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.657 1.223 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 95' ' ' ARG . 46.2 m-85 -140.57 132.66 27.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.796 ' HB2' HG13 ' A' ' 13' ' ' VAL . 3.6 t80 -88.2 -25.69 22.78 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.15 134.35 17.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.309 1.006 . . . . 0.0 109.477 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -79.32 0.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.56 1.163 . . . . 0.0 109.257 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.535 HG22 HD22 ' A' ' 8' ' ' LEU . 5.5 t -67.08 124.25 22.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.706 1.254 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.418 1.074 . . . . 0.0 111.008 179.782 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 m 61.76 124.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.526 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pp -150.94 116.95 5.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.0 120.25 12.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.384 1.052 . . . . 0.0 109.362 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.49 110.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.358 1.036 . . . . 0.0 109.255 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -103.76 152.17 22.17 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.668 1.23 . . . . 0.0 110.364 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.18 65.86 0.71 Allowed 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mt -137.49 -63.3 0.59 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.477 1.11 . . . . 0.0 109.388 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.08 175.15 0.14 Allowed 'General case' 0 C--N 1.319 -0.73 0 O-C-N 124.661 1.225 . . . . 0.0 109.555 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -80.36 139.64 36.46 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.39 1.056 . . . . 0.0 109.216 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -139.31 -48.59 0.48 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.707 1.254 . . . . 0.0 109.246 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 52' ' ' ALA . 9.3 t-20 179.94 147.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.271 0.982 . . . . 0.0 109.42 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.763 HG12 ' HA3' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -114.38 166.07 8.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.807 1.317 . . . . 0.0 109.494 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -156.2 85.28 0.13 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.271 0.982 . . . . 0.0 111.208 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' HD13 ' A' ' 16' ' ' ILE . 19.0 Cg_endo -74.8 130.72 13.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.544 1.813 . . . . 0.0 111.062 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 17' ' ' ILE . 8.9 mm -116.99 138.33 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 16' ' ' ILE . 4.3 pt -157.45 -173.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.382 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -167.14 1.04 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.724 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -167.11 154.18 8.73 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.04 64.4 0.27 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.591 1.182 . . . . 0.0 111.016 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -179.61 -147.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.643 0.849 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 mm? -89.64 27.71 1.45 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.436 1.085 . . . . 0.0 109.131 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.52 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.5 t -74.71 -9.47 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.728 1.267 . . . . 0.0 109.468 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.58 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.7 mt-10 -77.03 -60.81 0.75 Allowed Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.418 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.2 Cg_endo -75.02 -9.75 20.88 Favored 'Trans proline' 0 C--N 1.357 1.0 0 O-C-N 124.624 1.855 . . . . 0.0 110.973 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.033 HG13 HD21 ' A' ' 63' ' ' LEU . 23.9 t -90.16 -44.23 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.014 HD11 HD11 ' A' ' 50' ' ' ILE . 7.9 tp -70.11 -38.78 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 O-C-N 124.409 1.068 . . . . 0.0 109.213 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -66.44 -45.03 81.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.0 m -73.93 -29.82 62.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.36 1.038 . . . . 0.0 110.45 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -74.95 -14.67 60.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.617 1.198 . . . . 0.0 109.204 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.26 -43.1 11.82 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.75 ' C ' HD12 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -66.81 -24.18 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.712 1.258 . . . . 0.0 109.152 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.62 -41.55 90.68 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 56' ' ' LEU . 6.3 t30 -98.86 141.71 23.36 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.315 1.009 . . . . 0.0 109.071 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 54.27 3.56 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.403 1.738 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.46 60.35 1.54 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.706 1.254 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 56.68 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.602 0.824 . . . . 0.0 109.133 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 179.08 43.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.75 HD11 HD21 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -125.66 154.91 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.9 m -125.48 121.46 33.81 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.314 1.009 . . . . 0.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG22 HG23 ' A' ' 50' ' ' ILE . 84.9 t -91.22 149.69 4.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 124.462 1.102 . . . . 0.0 109.135 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' CB ' ' HG2' ' A' ' 49' ' ' ARG . 4.5 mt-10 -133.05 77.5 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.796 1.31 . . . . 0.0 110.41 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.61 100.37 12.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.652 1.22 . . . . 0.0 109.385 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -81.16 -71.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.655 1.222 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.04 -42.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.18 30.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.635 1.21 . . . . 0.0 109.474 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -136.72 169.8 17.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.721 1.263 . . . . 0.0 111.025 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' A' ' 19' ' ' ALA . 3.3 t -123.6 126.26 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.053 . . . . 0.0 109.064 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' HG2' ' CB ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -134.45 154.54 51.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.614 1.196 . . . . 0.0 110.42 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.014 HD11 HD11 ' A' ' 27' ' ' ILE . 2.7 mt -133.83 175.71 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.631 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -150.43 123.38 8.74 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.604 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -135.39 -175.44 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.598 1.186 . . . . 0.0 109.394 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -32.9 48.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.397 1.061 . . . . 0.0 110.359 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . 115.44 50.39 0.45 Allowed Glycine 0 CA--C 1.527 0.838 0 O-C-N 124.388 1.055 . . . . 0.0 111.083 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -178.46 87.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.448 0.734 . . . . 0.0 110.236 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 39' ' ' ILE . 1.2 mt -134.57 176.1 8.94 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.819 1.324 . . . . 0.0 109.403 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.775 HD13 ' C ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -157.08 103.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.555 1.16 . . . . 0.0 109.257 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.461 ' HB2' HG23 ' A' ' 94' ' ' ILE . 3.8 mt -92.68 150.61 20.58 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.605 1.19 . . . . 0.0 109.3 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.0 p -134.88 8.96 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.281 0.988 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -84.18 45.46 1.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.681 1.238 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.28 -24.48 64.87 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.634 1.209 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -72.09 -34.46 68.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.469 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.033 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -70.12 -42.47 72.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.767 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -76.18 -25.81 55.58 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.16 -37.06 39.33 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.462 1.102 . . . . 0.0 110.101 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -69.84 -46.76 64.89 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 124.557 1.161 . . . . 0.0 110.393 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 26' ' ' VAL . 30.5 mt -42.75 -28.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.415 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.603 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.75 65.36 0.31 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.559 1.162 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 29.2 mtp180 -53.8 -43.51 96.46 Favored Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.628 0.84 . . . . 0.0 110.44 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.82 62.18 5.65 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.414 1.744 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.63 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.23 -159.07 0.67 Allowed 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.68 1.237 . . . . 0.0 110.903 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.585 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -151.24 -165.13 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -80.72 -10.87 59.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.4 -36.47 84.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.99 -25.36 63.57 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.36 -54.03 39.35 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.533 1.146 . . . . 0.0 109.131 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.774 ' O ' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.45 -30.56 69.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.608 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -69.57 -60.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.608 ' N ' HG22 ' A' ' 78' ' ' ILE . 23.8 m-20 -71.1 81.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.816 ' C ' HD23 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -162.57 173.78 13.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.344 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.64 -66.27 0.84 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -159.45 -165.25 1.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.405 ' CG ' ' O ' ' A' ' 82' ' ' SER . 41.5 m-85 -162.15 160.05 26.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.44 1.088 . . . . 0.0 110.919 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -123.11 7.18 9.18 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.763 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -150.69 -156.71 7.46 Favored Glycine 0 CA--C 1.533 1.171 0 O-C-N 124.225 0.953 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.14 165.74 11.37 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.517 0.775 . . . . 0.0 110.445 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 94' ' ' ILE . 8.8 tt -152.2 147.13 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.667 1.229 . . . . 0.0 109.239 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.71 168.67 19.25 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.604 1.19 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.02 130.29 31.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.431 1.082 . . . . 0.0 109.164 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.483 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 2.8 t70 -103.97 -179.46 3.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.731 1.27 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 90' ' ' ASP . 9.5 pt-20 -33.51 -51.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.639 1.212 . . . . 0.0 110.213 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -151.17 61.77 0.9 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.57 1.169 . . . . 0.0 109.132 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.483 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -170.62 174.01 5.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.34 1.025 . . . . 0.0 110.368 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 87' ' ' ILE . 2.1 tt -141.8 105.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.8 149.2 24.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.231 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.791 ' CZ ' HD12 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -131.08 147.78 52.66 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.426 1.079 . . . . 0.0 110.902 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -176.86 165.74 2.47 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.66 ' HB2' HG13 ' A' ' 13' ' ' VAL . 16.5 t80 -114.73 -28.41 7.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.5 144.78 16.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.424 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.85 -65.59 1.01 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.152 . . . . 0.0 109.427 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -82.06 133.21 35.27 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.682 1.238 . . . . 0.0 110.454 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.7 ttt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.559 1.162 . . . . 0.0 111.042 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.1 p -101.04 -179.67 4.11 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 124.327 1.017 . . . . 0.0 110.399 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.37 170.87 11.62 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.457 1.098 . . . . 0.0 109.217 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.66 154.34 39.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.219 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -96.21 176.46 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.407 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -113.18 172.77 6.74 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 124.546 1.154 . . . . 0.0 110.245 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.57 101.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 0.0 109.388 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.598 HD22 ' HG2' ' A' ' 100' ' ' LYS . 1.3 mp -72.81 123.27 23.02 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 10' ' ' ASN . 4.4 t60 172.13 162.13 0.11 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.574 1.171 . . . . 0.0 109.691 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 2.6 t30 -44.75 120.38 2.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 109.273 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -149.1 -88.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.719 1.262 . . . . 0.0 109.127 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -149.92 151.02 32.74 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.542 1.151 . . . . 0.0 109.398 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -130.26 160.28 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.705 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -151.94 82.84 0.17 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.4 1.062 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 116.37 4.56 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.56 1.821 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.624 HG22 ' HB3' ' A' ' 81' ' ' ALA . 8.2 mm -100.87 108.72 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.31 172.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 124.389 1.056 . . . . 0.0 109.501 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.78 160.39 30.04 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.359 1.037 . . . . 0.0 110.178 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.599 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -99.63 151.35 21.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.394 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.03 -90.89 0.1 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -177.3 150.3 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.454 0.738 . . . . 0.0 109.545 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER 66.54 18.1 10.74 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 124.418 1.074 . . . . 0.0 109.482 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.92 -9.65 12.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -78.25 -58.0 0.86 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.392 1.057 . . . . 0.0 110.274 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.7 Cg_endo -75.2 -12.83 21.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.649 1.868 . . . . 0.0 110.866 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.959 HG21 HD21 ' A' ' 67' ' ' LEU . 15.1 t -87.04 -43.67 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 27' ' ' ILE . 8.0 tp -68.97 -43.34 82.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.61 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -62.05 -43.11 99.53 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.2 m -72.43 -33.86 67.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.38 -15.67 62.38 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.501 1.125 . . . . 0.0 109.241 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -84.27 -38.0 21.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.377 1.048 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.61 HG23 ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -70.13 -24.82 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.474 1.109 . . . . 0.0 109.447 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -66.22 -25.03 66.72 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.74 168.93 10.75 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.257 0.973 . . . . 0.0 109.242 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 54.03 3.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.822 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.26 61.32 1.54 Allowed Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.502 1.126 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.27 39.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.697 0.881 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 179.4 37.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 39' ' ' ILE . 20.9 mm -87.97 147.59 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.171 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -128.55 112.49 14.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.71 1.256 . . . . 0.0 110.457 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 42' ' ' GLU . 30.8 t -96.54 163.07 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.393 1.058 . . . . 0.0 109.372 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -153.59 97.52 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -78.24 109.68 12.57 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.3 tpm_? -80.45 -69.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.343 1.027 . . . . 0.0 110.288 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 161.16 -55.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.53 -35.66 22.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -135.85 165.9 24.56 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.687 1.242 . . . . 0.0 111.002 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.599 HG23 ' HA ' ' A' ' 19' ' ' ALA . 41.0 t -104.15 136.73 36.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 124.569 1.168 . . . . 0.0 109.224 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -122.42 136.37 54.88 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.505 1.128 . . . . 0.0 110.208 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 51' ' ' ALA . 5.9 mt -127.43 168.31 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.526 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -144.23 128.9 18.2 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.583 1.177 . . . . 0.0 109.37 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.872 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -130.38 -172.92 2.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.595 1.184 . . . . 0.0 109.554 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -83.32 -46.13 12.97 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.515 1.134 . . . . 0.0 110.182 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.09 -51.83 0.29 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.532 1.145 . . . . 0.0 111.093 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.82 121.2 43.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 0.782 . . . . 0.0 110.181 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.872 HD11 ' CB ' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -137.13 173.21 11.93 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.425 1.078 . . . . 0.0 109.238 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.509 HD13 ' C ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -158.28 132.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.401 1.063 . . . . 0.0 109.442 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.427 ' C ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -134.35 158.26 44.26 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.64 1.213 . . . . 0.0 109.5 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.427 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 22.0 p -149.73 19.4 0.91 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.359 1.037 . . . . 0.0 110.212 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -87.55 46.21 1.36 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.444 1.09 . . . . 0.0 110.231 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -18.32 51.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.322 1.014 . . . . 0.0 109.444 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.6 t -74.1 -47.34 36.96 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.408 1.067 . . . . 0.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.84 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.07 -38.46 90.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.747 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -73.6 -33.29 64.53 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.612 1.195 . . . . 0.0 110.349 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.13 -39.76 71.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -65.72 -49.36 68.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 124.33 1.019 . . . . 0.0 110.353 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.959 HD21 HG21 ' A' ' 26' ' ' VAL . 12.2 mt -42.86 -27.77 0.21 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.622 1.201 . . . . 0.0 109.188 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.83 65.19 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.376 1.048 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.1 mtt-85 -53.83 -43.46 96.43 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.547 0.792 . . . . 0.0 110.416 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.1 Cg_endo -74.93 62.16 5.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.635 1.861 . . . . 0.0 111.067 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.15 -157.73 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 110.958 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.588 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -163.58 -169.83 2.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -75.12 -14.25 60.55 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 124.693 1.246 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -44.77 95.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.417 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 2.1 mt-10 -63.3 -32.98 74.54 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.517 1.135 . . . . 0.0 110.199 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 76' ' ' LEU . 0.7 OUTLIER -55.92 -48.56 75.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.624 ' O ' HD21 ' A' ' 80' ' ' LEU . 14.9 tt0 -51.38 -32.66 26.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.279 0.987 . . . . 0.0 110.279 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 78' ' ' ILE . 0.5 OUTLIER -89.82 -30.77 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 75' ' ' GLU . 19.1 m120 -70.2 60.52 0.19 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 124.488 1.117 . . . . 0.0 109.197 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.624 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -159.43 80.44 0.74 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.725 1.266 . . . . 0.0 109.428 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.624 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -50.85 -41.81 58.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.783 1.302 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.478 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -166.57 -170.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.191 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 80' ' ' LEU . 11.2 m-85 -163.33 151.83 13.95 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.625 1.203 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.705 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -109.28 -16.95 13.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.329 1.018 . . . . 0.0 109.402 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.22 -138.84 3.66 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.507 1.129 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -122.4 156.94 32.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.666 0.863 . . . . 0.0 110.314 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.039 HD11 HD11 ' A' ' 94' ' ' ILE . 7.5 tt -131.4 158.37 43.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -143.41 169.14 18.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.469 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.32 138.52 25.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.213 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.477 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 2.5 t70 -108.93 179.66 4.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.49 -47.84 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.115 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.54 64.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.162 . . . . 0.0 109.337 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.477 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -173.28 167.14 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.624 1.203 . . . . 0.0 110.245 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.039 HD11 HD11 ' A' ' 87' ' ' ILE . 1.4 tt -142.92 122.21 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.706 1.254 . . . . 0.0 109.341 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.37 167.82 13.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 1.186 . . . . 0.0 110.219 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.901 ' CZ ' HD12 ' A' ' 87' ' ' ILE . 25.5 m-85 -129.41 157.15 42.76 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.429 1.081 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 8.9 p90 -163.88 129.67 3.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.68 1.237 . . . . 0.0 110.975 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -90.66 -28.28 18.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.35 1.031 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.21 169.78 0.55 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.68 ' HE2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -138.48 -168.61 2.42 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.606 1.191 . . . . 0.0 109.489 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.68 HG22 ' HE2' ' A' ' 100' ' ' LYS . 2.6 t -37.02 140.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.232 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.45 -0.448 0 O-C-N 124.587 1.179 . . . . 0.0 111.053 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m 58.3 97.66 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.04 130.04 13.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -146.65 169.27 19.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 124.33 1.019 . . . . 0.0 109.359 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -143.08 146.01 33.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.622 1.201 . . . . 0.0 109.197 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -122.34 88.18 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.644 1.215 . . . . 0.0 110.275 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.484 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -109.2 48.96 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.692 1.245 . . . . 0.0 109.274 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 8' ' ' LEU . 1.6 mp -115.11 101.94 9.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.113 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.579 ' CG ' ' N ' ' A' ' 10' ' ' ASN . 6.0 t-80 172.96 169.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.739 1.274 . . . . 0.0 109.561 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.579 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 1.1 m-20 -40.46 136.35 1.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 109.196 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 10.3 m-20 -161.68 -69.74 0.06 Allowed 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.426 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 52' ' ' ALA . 1.8 p30 -172.9 146.69 1.58 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.609 1.193 . . . . 0.0 109.196 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 53' ' ' GLU . 1.8 m -102.39 138.08 27.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.67 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -126.76 78.28 0.38 Allowed Glycine 0 CA--C 1.527 0.844 0 O-C-N 124.339 1.025 . . . . 0.0 111.072 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.876 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.4 Cg_endo -75.14 137.81 21.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.876 HD13 ' O ' ' A' ' 15' ' ' PRO . 5.7 mm -126.38 127.79 70.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.603 HG22 ' HA ' ' A' ' 80' ' ' LEU . 2.9 pt -141.26 -161.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 109.425 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -111.85 163.27 14.38 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.255 0.972 . . . . 0.0 110.347 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.433 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -84.99 106.36 16.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 1.128 . . . . 0.0 109.215 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.14 -85.98 0.96 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.681 1.238 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.96 130.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 0.0 109.208 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER 66.16 20.99 11.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.412 1.07 . . . . 0.0 109.496 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.787 HG11 HG21 ' A' ' 48' ' ' VAL . 1.3 t -78.81 -12.14 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.398 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.526 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -74.67 -58.25 1.78 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.772 1.295 . . . . 0.0 110.484 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.526 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.8 Cg_endo -75.09 -13.0 21.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.61 1.847 . . . . 0.0 111.014 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.004 HG13 HD21 ' A' ' 63' ' ' LEU . 5.9 t -86.09 -40.31 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 O-C-N 124.369 1.043 . . . . 0.0 109.445 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 24' ' ' GLU . 8.8 tp -73.25 -43.52 56.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.874 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.23 -37.21 86.33 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.671 1.232 . . . . 0.0 110.421 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.3 m -81.87 -28.56 32.91 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.32 1.012 . . . . 0.0 110.336 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -77.95 -17.05 57.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.12 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.729 ' OE2' HG21 ' A' ' 39' ' ' ILE . 6.4 mm-40 -87.1 -40.52 14.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.683 1.239 . . . . 0.0 110.377 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 28' ' ' GLU . 8.3 pt -64.97 -34.08 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.377 1.048 . . . . 0.0 109.342 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.494 ' OD1' ' CZ ' ' A' ' 60' ' ' ARG . 19.4 t0 -47.58 -26.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.423 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.41 158.85 43.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.223 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 53.35 3.37 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.463 1.77 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.85 61.29 1.4 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 50.23 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.23 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 178.95 51.23 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 124.418 1.073 . . . . 0.0 110.327 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.729 HG21 ' OE2' ' A' ' 31' ' ' GLU . 21.1 mt -117.1 144.44 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.661 1.226 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.9 m -116.91 111.92 20.32 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.568 1.167 . . . . 0.0 110.359 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -92.3 158.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.338 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.36 72.08 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.549 1.156 . . . . 0.0 110.215 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -93.03 111.12 22.64 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 4.8 tpt180 -81.04 -60.19 2.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.428 1.08 . . . . 0.0 110.299 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 160.16 -50.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.375 1.047 . . . . 0.0 110.324 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 47' ' ' TYR . . . -79.28 -22.26 44.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.38 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 18.9 m-85 -144.22 174.54 10.8 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.26 0.975 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.787 HG21 HG11 ' A' ' 23' ' ' VAL . 64.2 t -129.11 128.98 67.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 59.8 ttt-85 -128.14 157.26 41.27 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.407 1.067 . . . . 0.0 110.276 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 43.1 mt -145.97 161.0 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 124.768 1.292 . . . . 0.0 109.181 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -166.55 122.12 1.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.772 1.295 . . . . 0.0 109.009 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' A' ' 12' ' ' ASN . . . -174.19 -169.53 0.47 Allowed 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 124.375 1.047 . . . . 0.0 109.234 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.591 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -38.98 153.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.08 49.01 0.98 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.684 1.24 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -173.41 85.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.136 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 175.81 8.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.596 HD13 ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -151.87 140.13 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.596 ' N ' HD13 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -130.09 161.0 32.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 124.413 1.07 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.414 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 31.4 p -150.28 20.06 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.618 1.199 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.494 ' CZ ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -87.73 42.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 110.476 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.06 64.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.48 -34.19 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.245 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.004 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -70.54 -46.57 63.34 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.562 1.164 . . . . 0.0 109.548 179.778 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -67.54 -37.56 82.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' ARG . 4.9 mt-10 -68.05 -41.07 82.58 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 mt-30 -63.0 -51.03 68.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 110.144 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 64' ' ' GLU . 21.6 mt -41.73 -28.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.351 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.67 65.84 0.3 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 8.1 mtm180 -53.95 -43.43 96.68 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 124.418 0.717 . . . . 0.0 110.186 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 17.8 Cg_endo -75.09 61.82 5.81 Favored 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.672 1.88 . . . . 0.0 110.866 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.03 -160.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 0.0 111.007 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.586 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -144.78 -165.27 2.11 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -14.42 49.01 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.47 1.106 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.45 -33.41 74.77 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.606 1.191 . . . . 0.0 110.293 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.98 -28.69 65.74 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.38 1.05 . . . . 0.0 110.305 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.5 -52.0 65.2 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.67 -11.52 60.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.98 -44.13 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.679 1.237 . . . . 0.0 109.412 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.09 62.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.688 1.243 . . . . 0.0 109.207 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 80' ' ' LEU . 1.1 pp -151.85 154.4 36.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.87 -57.21 2.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.492 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -157.95 -166.05 1.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 110.057 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 82' ' ' SER . 42.1 m-85 -163.59 157.23 19.22 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.416 1.072 . . . . 0.0 111.099 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -110.03 -2.73 16.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.227 0.954 . . . . 0.0 109.4 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.12 -144.76 4.0 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.485 1.116 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -120.65 165.92 14.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.682 0.871 . . . . 0.0 110.335 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -147.61 134.5 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.742 1.276 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -127.2 157.67 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.388 1.055 . . . . 0.0 110.101 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.09 142.17 51.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.397 1.061 . . . . 0.0 109.416 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 93' ' ' GLN . 4.1 t0 -105.31 -177.74 3.45 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.666 1.228 . . . . 0.0 109.299 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.56 -49.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -153.35 61.46 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.365 1.041 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.464 ' CD ' ' CB ' ' A' ' 90' ' ' ASP . 1.2 pt20 -168.7 167.44 11.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.408 1.068 . . . . 0.0 110.097 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.552 HG23 HD12 ' A' ' 58' ' ' LEU . 1.2 tp -138.16 122.81 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.468 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.95 144.72 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.396 1.06 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -115.94 146.95 41.65 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -165.82 162.22 18.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.564 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 51.4 t80 -131.74 83.3 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.51 135.46 28.37 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.526 1.141 . . . . 0.0 109.145 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 101' ' ' THR . 1.4 pttt -76.98 -168.51 1.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.588 1.18 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 100' ' ' LYS . 3.1 t -36.12 147.03 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.66 1.225 . . . . 0.0 110.547 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 C--N 1.323 -0.557 0 O-C-N 124.443 1.089 . . . . 0.0 110.846 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -74.97 126.79 31.76 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.86 158.89 24.02 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.26 144.19 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 109.038 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.18 142.33 30.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 6.9 mt-30 -142.2 147.75 37.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . 176.64 72.45 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.499 1.124 . . . . 0.0 109.383 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -124.33 172.6 8.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.356 1.035 . . . . 0.0 109.406 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER 66.81 124.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.657 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 58.46 101.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.564 1.165 . . . . 0.0 109.383 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -144.32 -78.57 0.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' ALA . 16.5 p-10 -158.19 127.14 5.62 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.534 1.146 . . . . 0.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.008 HG22 ' HB3' ' A' ' 52' ' ' ALA . 3.5 m -89.69 177.03 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.658 1.224 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.747 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -172.41 71.44 0.1 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.302 1.001 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.538 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.3 Cg_endo -75.18 135.5 18.84 Favored 'Trans proline' 0 C--N 1.362 1.258 0 O-C-N 124.362 1.717 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.538 HD13 ' O ' ' A' ' 15' ' ' PRO . 9.3 mm -124.8 140.9 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 124.386 1.053 . . . . 0.0 109.1 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 16' ' ' ILE . 11.4 pt -153.71 -171.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.209 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.58 153.31 20.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -71.43 129.46 38.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.078 . . . . 0.0 109.436 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.29 -87.94 2.02 Favored Glycine 0 CA--C 1.528 0.866 0 O-C-N 124.693 1.246 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -179.95 134.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.3 mt 66.21 19.69 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.394 1.058 . . . . 0.0 109.536 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.62 HG11 HG21 ' A' ' 48' ' ' VAL . 1.4 t -79.11 -9.54 12.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -79.58 -57.7 0.69 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.294 0.996 . . . . 0.0 110.356 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -75.03 -11.28 21.41 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.244 1.655 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.038 HG13 HD11 ' A' ' 63' ' ' LEU . 22.1 t -89.88 -44.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.518 1.136 . . . . 0.0 109.488 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' VAL . 5.0 tp -68.36 -32.35 55.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -73.43 -41.67 62.97 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.424 1.077 . . . . 0.0 110.202 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 m -77.57 -24.39 49.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.625 1.203 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.51 -32.29 36.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.455 1.097 . . . . 0.0 109.397 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.639 ' OE2' HG21 ' A' ' 39' ' ' ILE . 13.0 mm-40 -70.2 -44.69 68.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.337 1.023 . . . . 0.0 110.229 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 28' ' ' GLU . 21.6 pt -61.22 -40.91 87.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.408 1.067 . . . . 0.0 109.38 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 32' ' ' ILE . 7.8 t70 -52.11 -27.63 14.79 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.417 1.073 . . . . 0.0 109.465 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -112.06 156.84 41.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 47.99 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.405 1.739 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.51 59.96 1.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.59 43.04 1.08 Allowed 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 124.607 0.828 . . . . 0.0 109.393 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.27 38.83 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.584 1.178 . . . . 0.0 110.156 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.666 ' CD1' HD11 ' A' ' 56' ' ' LEU . 11.6 mm -94.23 150.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.434 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -112.42 112.11 23.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.398 1.061 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.9 t -112.46 146.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -130.9 68.67 1.48 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -82.96 105.09 13.68 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 20.6 tpt180 -80.24 -58.19 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.136 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 162.33 -48.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.32 -31.07 25.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.396 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -126.03 171.65 10.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.62 HG21 HG11 ' A' ' 23' ' ' VAL . 90.1 t -131.51 105.3 10.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 124.526 1.141 . . . . 0.0 109.233 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -97.97 149.89 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.675 1.235 . . . . 0.0 110.271 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 51' ' ' ALA . 27.6 mt -145.24 162.2 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 O-C-N 124.408 1.067 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -157.92 154.78 28.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.62 1.2 . . . . 0.0 109.387 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.008 ' HB3' HG22 ' A' ' 13' ' ' VAL . . . -145.42 151.25 37.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.18 50.47 1.86 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.536 1.148 . . . . 0.0 110.195 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.78 -83.36 0.2 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.618 1.199 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -161.02 177.5 10.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.708 0.887 . . . . 0.0 110.22 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 39' ' ' ILE . 87.6 mt -151.26 -175.09 5.03 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.362 1.039 . . . . 0.0 109.255 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.5 tp -149.54 127.45 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.263 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.643 ' HB2' HG23 ' A' ' 94' ' ' ILE . 0.7 OUTLIER -121.19 138.65 54.11 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.618 1.199 . . . . 0.0 109.431 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.3 p -133.74 8.16 3.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.61 40.2 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.199 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -23.58 44.63 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.566 1.166 . . . . 0.0 109.389 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -72.64 -41.63 65.29 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 124.243 0.964 . . . . 0.0 110.403 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.038 HD11 HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -66.72 -33.02 74.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.352 1.032 . . . . 0.0 109.426 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.696 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -84.76 -20.78 30.51 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.566 1.166 . . . . 0.0 110.261 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.64 -33.12 23.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.2 mt-30 -76.76 -45.33 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.608 1.192 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 26' ' ' VAL . 20.7 mt -44.53 -26.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -154.77 64.99 0.33 Allowed Glycine 0 CA--C 1.533 1.159 0 O-C-N 124.438 1.086 . . . . 0.0 110.926 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.637 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 28.6 mtm105 -55.61 -42.85 98.16 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.558 0.799 . . . . 0.0 110.2 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.95 62.42 5.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.701 1.895 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.14 -159.15 0.74 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 110.956 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.55 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.23 -160.5 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 109.185 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.7 ptp -75.15 -20.48 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.35 1.031 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.97 -58.5 7.9 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.594 1.184 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.46 -33.28 20.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.34 1.025 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.09 -52.26 66.28 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.582 1.176 . . . . 0.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.744 ' O ' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -80.52 -28.08 37.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.691 1.245 . . . . 0.0 110.365 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.643 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.5 OUTLIER -70.34 -64.14 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.665 1.228 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.643 ' N ' HG22 ' A' ' 78' ' ' ILE . 97.1 m-20 -72.61 85.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.792 ' C ' HD23 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -160.34 170.05 21.86 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.635 1.209 . . . . 0.0 109.321 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.96 -71.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.441 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -151.98 -162.92 1.62 Allowed 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 124.563 1.164 . . . . 0.0 109.996 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 82' ' ' SER . 40.4 m-85 -166.54 167.88 15.15 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.747 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -116.61 -38.83 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.23 -155.05 10.41 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.58 1.175 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -108.92 165.31 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 110.174 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.502 ' CG2' ' CE1' ' A' ' 96' ' ' PHE . 5.8 pt -136.96 147.3 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 O-C-N 124.517 1.136 . . . . 0.0 109.144 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -142.27 152.54 43.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.49 132.51 51.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 109.246 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.489 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 17.3 t0 -101.41 -176.74 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.635 1.209 . . . . 0.0 109.225 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -33.93 -46.16 0.22 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.502 1.127 . . . . 0.0 110.198 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.05 60.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.394 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 2.2 pt20 -166.77 170.07 12.75 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.643 HG23 ' HB2' ' A' ' 58' ' ' LEU . 4.4 tt -143.35 104.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.377 1.048 . . . . 0.0 109.253 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 140.48 30.02 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.502 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 2.5 m-30 -117.61 147.39 42.9 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.651 1.219 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 8.6 p90 -171.04 151.46 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.37 1.044 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.812 ' HB2' HG12 ' A' ' 13' ' ' VAL . 56.5 t80 -112.91 92.58 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.64 1.213 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.11 128.15 45.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.319 1.012 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -60.73 -67.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.391 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.7 t -86.8 121.23 29.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.742 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.8 m -129.18 115.03 17.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.306 1.004 . . . . 0.0 110.478 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -173.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.268 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.25 169.3 17.1 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -73.41 176.08 6.37 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.197 0.936 . . . . 0.0 109.178 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -175.92 169.28 2.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 49.97 92.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.308 1.005 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.34 -78.18 0.11 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.9 t60 66.06 174.69 0.23 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.421 1.075 . . . . 0.0 109.581 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -78.86 -169.59 1.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.631 1.207 . . . . 0.0 109.363 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -157.06 -87.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.45 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -147.63 130.76 16.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 109.409 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.79 HG12 ' HB2' ' A' ' 98' ' ' PHE . 28.0 m -90.22 -177.58 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 O-C-N 124.339 1.024 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' CA ' ' HB3' ' A' ' 84' ' ' ALA . . . -177.06 92.01 0.09 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.44 1.087 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.545 ' O ' HD12 ' A' ' 16' ' ' ILE . 18.0 Cg_endo -75.21 127.37 10.49 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.544 1.813 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.677 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -111.27 89.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 124.463 1.102 . . . . 0.0 109.228 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.5 pt -115.58 -175.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 109.226 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.88 -167.27 1.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . -120.34 97.52 5.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.12 -86.91 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.072 . . . . 0.0 111.05 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -179.88 137.01 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.819 0.952 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER 66.52 18.39 10.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.333 1.021 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.452 HG11 HG21 ' A' ' 48' ' ' VAL . 1.3 t -78.68 -10.56 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.594 1.184 . . . . 0.0 109.389 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.522 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -76.9 -58.55 1.04 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 110.476 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.5 Cg_endo -74.87 -11.93 21.76 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.275 1.671 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.066 HG13 HD21 ' A' ' 63' ' ' LEU . 17.7 t -88.64 -41.46 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.561 HD11 HD13 ' A' ' 50' ' ' ILE . 1.9 tp -72.98 -36.54 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.478 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.791 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -73.0 -33.98 66.13 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.405 ' O ' HG12 ' A' ' 32' ' ' ILE . 95.0 m -83.07 -28.09 29.8 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 124.389 1.055 . . . . 0.0 110.301 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.94 -18.39 56.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.643 1.214 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' OE2' HD12 ' A' ' 39' ' ' ILE . 14.0 mm-40 -84.67 -41.65 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 28' ' ' GLU . 9.8 pt -62.65 -35.68 71.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.309 1.006 . . . . 0.0 109.123 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 32' ' ' ILE . 6.7 t70 -48.74 -26.4 2.32 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.627 1.204 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -117.47 170.19 6.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.87 54.2 3.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.352 1.711 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.36 62.68 1.44 Allowed Glycine 0 CA--C 1.527 0.786 0 O-C-N 124.452 1.095 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 44.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 0.716 . . . . 0.0 109.4 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.39 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.668 HD13 ' CB ' ' A' ' 52' ' ' ALA . 31.6 mm -83.46 149.11 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.2 m -127.5 111.42 13.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.407 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.3 t -101.84 158.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.33 84.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.3 111.21 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 24.0 tpt180 -81.38 -58.75 2.9 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.414 1.071 . . . . 0.0 110.191 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER 158.57 -58.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.428 1.08 . . . . 0.0 110.192 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.781 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -89.83 -38.06 14.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.402 ' HA ' ' N ' ' A' ' 19' ' ' ALA . 6.7 m-85 -115.6 173.97 6.26 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.36 1.037 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.452 HG21 HG11 ' A' ' 23' ' ' VAL . 24.0 t -124.98 131.73 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.354 1.034 . . . . 0.0 109.179 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -124.67 131.38 53.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.43 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.561 HD13 HD11 ' A' ' 27' ' ' ILE . 2.0 mt -125.91 161.87 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.632 1.208 . . . . 0.0 109.373 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -163.93 144.1 8.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.397 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.668 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . 179.8 -171.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.362 1.039 . . . . 0.0 109.446 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.506 ' O ' HG22 ' A' ' 13' ' ' VAL . 2.4 mt-10 -41.71 162.33 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.681 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -103.35 33.84 6.25 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.313 1.008 . . . . 0.0 111.079 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' H ' HD22 ' A' ' 56' ' ' LEU . 13.6 tt0 -163.44 75.0 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.512 0.771 . . . . 0.0 110.159 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.448 HD22 ' H ' ' A' ' 55' ' ' GLU . 2.4 mm? -116.47 177.37 4.72 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.619 1.2 . . . . 0.0 109.238 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -154.41 117.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 109.43 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.64 156.02 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 109.426 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.6 p -147.17 17.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.338 1.024 . . . . 0.0 110.488 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.445 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -89.62 36.43 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.289 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -23.98 63.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.403 1.065 . . . . 0.0 109.406 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -73.1 -41.92 63.53 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.681 1.238 . . . . 0.0 110.471 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.066 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -62.52 -44.28 96.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.217 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.843 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -69.43 -39.54 77.79 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.415 1.072 . . . . 0.0 110.449 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -39.0 91.89 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.476 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -66.28 -47.73 72.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 64' ' ' GLU . 14.6 mt -42.79 -27.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.05 65.3 0.31 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.574 1.172 . . . . 0.0 111.108 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.637 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 44.5 mtp180 -54.05 -43.55 97.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.2 Cg_endo -75.09 62.24 5.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.387 1.73 . . . . 0.0 110.774 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -159.06 -159.95 0.81 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.467 1.104 . . . . 0.0 111.228 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.59 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -142.19 -165.88 2.12 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.294 0.996 . . . . 0.0 109.332 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.1 ttt -82.09 -29.83 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -45.58 -48.17 14.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -48.9 -36.78 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.668 1.23 . . . . 0.0 110.215 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.39 -50.29 72.13 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.389 1.055 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 14.7 tt0 -78.75 -9.72 59.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -90.66 -59.53 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.386 1.054 . . . . 0.0 109.365 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.551 ' N ' HG22 ' A' ' 78' ' ' ILE . 13.7 m120 -70.15 65.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.411 1.069 . . . . 0.0 109.218 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -146.54 163.46 35.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.392 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -131.05 -66.64 0.74 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.407 1.067 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -141.58 -169.08 2.8 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.475 1.109 . . . . 0.0 109.937 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 82' ' ' SER . 8.3 m-85 -165.7 133.22 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.421 ' HB3' ' CA ' ' A' ' 14' ' ' GLY . . . -96.75 29.05 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.409 1.068 . . . . 0.0 109.274 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.59 -174.63 45.75 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.369 1.043 . . . . 0.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -103.97 139.25 39.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.812 0.948 . . . . 0.0 110.197 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.447 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 1.7 pp -121.06 134.54 64.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.499 1.124 . . . . 0.0 109.105 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 22.5 pt20 -126.4 144.35 50.86 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.68 1.238 . . . . 0.0 110.256 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.78 142.66 46.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -119.33 -175.06 2.86 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.174 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 90' ' ' ASP . 3.2 pt-20 -29.59 -59.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -148.39 61.41 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.315 1.01 . . . . 0.0 109.437 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.476 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 13.7 pt20 -171.35 171.59 5.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.298 0.999 . . . . 0.0 110.307 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 4.1 tt -147.22 110.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.624 1.203 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.45 139.43 31.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.429 1.081 . . . . 0.0 110.286 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.447 ' CZ ' HG21 ' A' ' 87' ' ' ILE . 4.5 m-85 -110.4 145.03 38.28 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.41 1.069 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 9.4 p90 -170.62 142.39 2.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 0.0 111.119 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.79 ' HB2' HG12 ' A' ' 13' ' ' VAL . 15.1 t80 -113.34 82.04 1.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.25 130.05 35.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.424 1.078 . . . . 0.0 109.413 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -57.34 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.697 1.248 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -78.52 163.1 25.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.607 1.192 . . . . 0.0 110.468 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.596 1.185 . . . . 0.0 110.771 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 t -116.71 -34.47 4.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.407 1.067 . . . . 0.0 110.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -159.89 157.57 29.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.207 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.96 78.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.292 0.995 . . . . 0.0 109.366 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -159.24 125.86 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.04 62.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.536 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.75 81.19 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.672 1.232 . . . . 0.0 109.254 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.62 -89.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.387 1.055 . . . . 0.0 109.254 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 100' ' ' LYS . 92.2 m-70 -104.61 111.81 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.657 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.516 ' ND2' ' CZ ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -179.5 38.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.387 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -126.79 -48.2 1.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.9 p30 179.95 142.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.071 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 52' ' ' ALA . 8.3 m -98.71 170.62 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 124.398 1.061 . . . . 0.0 109.285 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.4 87.62 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' C ' HD13 ' A' ' 16' ' ' ILE . 18.8 Cg_endo -74.89 113.47 3.8 Favored 'Trans proline' 0 C--N 1.358 1.051 0 O-C-N 124.689 1.889 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.478 ' C ' ' HB3' ' A' ' 81' ' ' ALA . 8.9 mm -108.01 132.37 55.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.466 1.104 . . . . 0.0 109.21 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.647 HG22 ' HA ' ' A' ' 80' ' ' LEU . 13.0 pt -145.75 -171.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.92 165.59 11.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.582 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -94.09 127.06 39.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.667 1.23 . . . . 0.0 109.4 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.72 -80.28 1.41 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.559 1.162 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 179.62 -37.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.205 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.1 mm? -116.74 15.5 15.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.589 1.181 . . . . 0.0 109.274 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.627 HG11 HG21 ' A' ' 48' ' ' VAL . 2.1 t -77.84 -10.04 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.146 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.556 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -76.91 -59.35 0.94 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.252 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.556 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -75.0 -10.32 21.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.062 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.827 HG13 HD11 ' A' ' 63' ' ' LEU . 17.6 t -90.45 -46.2 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.225 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 23' ' ' VAL . 6.5 tp -66.99 -33.49 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.15 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.675 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -72.17 -42.86 65.39 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.593 1.183 . . . . 0.0 110.371 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.9 m -74.89 -26.29 59.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.11 -20.51 52.04 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.286 0.991 . . . . 0.0 109.374 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -83.08 -39.55 21.02 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.699 1.249 . . . . 0.0 110.438 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 28' ' ' GLU . 10.5 pt -68.87 -36.22 73.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.725 1.266 . . . . 0.0 109.471 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -25.12 51.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.728 1.268 . . . . 0.0 109.2 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.19 147.34 36.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.686 1.241 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 54.8 3.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.412 1.743 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.88 60.31 1.7 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.151 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 50.65 1.55 Allowed 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.677 0.869 . . . . 0.0 109.354 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.513 ' C ' HD12 ' A' ' 39' ' ' ILE . 5.3 pt-20 179.22 47.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.589 1.18 . . . . 0.0 110.438 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.513 HD12 ' C ' ' A' ' 38' ' ' GLU . 1.3 mp -137.1 148.96 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 O-C-N 124.582 1.176 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.846 HG22 ' HB3' ' A' ' 51' ' ' ALA . 14.5 t -113.19 166.79 11.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 110.556 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.712 HG22 HG12 ' A' ' 50' ' ' ILE . 43.9 t -149.74 134.72 10.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 124.433 1.083 . . . . 0.0 109.402 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -113.78 74.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.404 1.065 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.36 102.6 13.54 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.611 1.194 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 6.3 tpm_? -83.85 -59.77 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 4.5 mtt180 158.99 -51.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -78.61 -35.66 45.31 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.673 1.233 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -129.58 169.8 14.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.627 HG21 HG11 ' A' ' 23' ' ' VAL . 57.5 t -128.63 119.81 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.408 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 22.4 ttt180 -117.09 149.45 40.3 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.334 1.021 . . . . 0.0 110.29 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.712 HG12 HG22 ' A' ' 41' ' ' VAL . 96.9 mt -143.68 160.58 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.369 1.043 . . . . 0.0 109.439 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.846 ' HB3' HG22 ' A' ' 40' ' ' THR . . . -144.24 128.23 17.5 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.726 1.266 . . . . 0.0 109.168 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.82 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -130.41 116.3 18.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.276 0.985 . . . . 0.0 109.242 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.42 55.12 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.447 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.77 -96.03 0.12 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.627 1.204 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -166.11 173.21 10.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.676 0.868 . . . . 0.0 110.297 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.4 mt -152.25 -179.57 7.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.669 1.23 . . . . 0.0 109.197 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -156.44 107.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.542 ' HB2' HG23 ' A' ' 94' ' ' ILE . 4.8 mt -104.86 135.9 45.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.088 . . . . 0.0 109.146 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.1 p -135.21 15.18 3.5 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.408 1.067 . . . . 0.0 110.496 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.08 44.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.594 1.184 . . . . 0.0 110.261 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -23.58 62.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.063 . . . . 0.0 109.379 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -48.22 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.612 1.195 . . . . 0.0 110.423 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.827 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.3 -47.21 87.0 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.536 1.148 . . . . 0.0 109.5 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.759 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.87 -35.66 81.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.399 1.062 . . . . 0.0 110.322 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.51 -39.73 77.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 0.0 110.474 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.3 mt-30 -65.6 -47.95 73.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.073 . . . . 0.0 110.148 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.68 HD11 HG21 ' A' ' 26' ' ' VAL . 71.3 mt -41.2 -29.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.606 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.33 65.86 0.3 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.305 1.003 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.632 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 3.7 mtm105 -53.6 -43.49 95.99 Favored Pre-proline 0 C--N 1.321 -0.652 0 O-C-N 124.486 0.757 . . . . 0.0 110.165 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.86 63.12 5.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.369 1.72 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.62 -164.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.726 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.502 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -144.57 -165.92 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.181 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.3 ptt? -79.97 -10.3 59.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.657 1.223 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -37.18 86.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.16 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.5 mt-10 -67.88 -28.48 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 110.145 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.01 -54.07 46.75 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.715 1.259 . . . . 0.0 109.321 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.619 ' O ' HD21 ' A' ' 80' ' ' LEU . 5.0 tt0 -70.5 -13.96 62.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.398 1.061 . . . . 0.0 110.147 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.55 -32.33 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 O-C-N 124.331 1.019 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' GLU . 65.6 m-20 -86.09 68.56 10.33 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.308 1.005 . . . . 0.0 109.445 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.647 ' HA ' HG22 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -141.69 164.06 31.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HB3' ' C ' ' A' ' 16' ' ' ILE . . . -134.44 -52.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.707 1.255 . . . . 0.0 109.195 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.537 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -165.67 177.59 7.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.309 1.006 . . . . 0.0 110.131 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 82' ' ' SER . 71.3 m-85 -165.45 144.0 6.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 9' ' ' HIS . . . -94.94 -64.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.33 -135.35 2.16 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.364 1.04 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -135.45 166.3 23.48 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.405 0.709 . . . . 0.0 110.414 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.753 HG22 ' CD2' ' A' ' 96' ' ' PHE . 7.7 pt -122.89 170.94 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.408 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -155.87 114.33 3.43 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.593 1.183 . . . . 0.0 110.4 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.27 140.9 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 91' ' ' GLU . 14.5 t0 -110.63 -175.31 2.69 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.492 1.12 . . . . 0.0 109.379 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.5 pt-20 -31.91 -56.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.766 1.291 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -150.76 54.24 0.89 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.395 1.059 . . . . 0.0 109.225 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.475 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.4 pt20 -154.5 -168.66 2.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.617 1.198 . . . . 0.0 110.324 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 58' ' ' LEU . 2.5 tt -162.78 119.61 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 O-C-N 124.586 1.179 . . . . 0.0 109.208 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.58 151.67 40.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.287 0.992 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.753 ' CD2' HG22 ' A' ' 87' ' ' ILE . 19.0 m-85 -123.27 153.78 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.696 1.248 . . . . 0.0 111.059 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.544 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 2.9 p90 -151.82 165.6 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.524 ' CB ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -115.07 -23.81 8.86 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.642 1.214 . . . . 0.0 111.075 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.491 ' OD2' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -76.72 111.28 12.06 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.642 1.213 . . . . 0.0 109.394 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -54.48 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.741 1.276 . . . . 0.0 109.367 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 100' ' ' LYS . 2.4 t -36.66 154.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.466 1.104 . . . . 0.0 110.464 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.8 ptm . . . . . 0 C--N 1.32 -0.688 0 O-C-N 124.557 1.161 . . . . 0.0 110.934 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p -57.71 158.76 5.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.355 1.034 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.42 125.79 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.36 -169.76 2.69 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.574 1.172 . . . . 0.0 109.5 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -170.63 175.93 4.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.384 1.052 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.29 151.75 25.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.689 1.243 . . . . 0.0 110.065 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.48 39.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.29 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -95.04 -176.59 3.88 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 124.55 1.157 . . . . 0.0 109.44 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.5 m80 62.04 174.37 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.382 1.051 . . . . 0.0 109.595 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -72.47 170.71 13.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -178.73 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.393 1.058 . . . . 0.0 109.234 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -147.37 139.81 24.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.441 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.491 HG13 ' HB2' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -123.27 178.74 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.322 1.014 . . . . 0.0 109.271 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.621 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -159.61 84.36 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.675 ' C ' HD13 ' A' ' 16' ' ' ILE . 18.8 Cg_endo -74.66 125.05 9.24 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.439 1.757 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.675 HD13 ' C ' ' A' ' 15' ' ' PRO . 4.7 mm -113.32 123.3 68.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.695 HG22 ' HG ' ' A' ' 80' ' ' LEU . 1.1 pt -138.68 171.76 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -67.29 170.41 7.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.708 1.255 . . . . 0.0 110.388 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.791 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -107.73 156.83 18.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.49 -90.07 0.86 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 111.052 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 179.64 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.48 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 8.3 mp -111.29 20.63 17.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.356 1.035 . . . . 0.0 109.354 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.793 HG11 HG21 ' A' ' 48' ' ' VAL . 1.7 t -78.29 -9.58 12.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.746 1.278 . . . . 0.0 109.219 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -77.61 -58.45 0.92 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.693 1.246 . . . . 0.0 110.45 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -74.85 -11.62 21.78 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.372 1.722 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.9 HG13 HD11 ' A' ' 63' ' ' LEU . 8.6 t -89.59 -45.86 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.142 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 23' ' ' VAL . 6.0 tp -66.33 -35.09 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.691 1.245 . . . . 0.0 109.472 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -68.15 -47.26 68.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.32 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 m -71.81 -28.41 63.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.14 . . . . 0.0 110.477 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.99 -16.56 58.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.254 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -85.55 -37.6 19.44 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.56 1.162 . . . . 0.0 110.342 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 28' ' ' GLU . 8.1 pt -69.36 -30.38 45.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.633 1.208 . . . . 0.0 109.357 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.78 -27.14 63.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.2 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.01 159.42 32.28 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.231 0.957 . . . . 0.0 109.243 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -0.05 9.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.322 1.696 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.765 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -79.68 52.52 4.17 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.44 1.087 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 56.39 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.611 0.83 . . . . 0.0 109.198 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -179.95 50.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.68 1.238 . . . . 0.0 110.316 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.765 HD12 ' O ' ' A' ' 36' ' ' GLY . 1.8 mt -114.58 150.63 16.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.529 1.143 . . . . 0.0 109.44 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.3 m -112.41 113.06 25.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.529 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.455 HG22 HG23 ' A' ' 50' ' ' ILE . 46.6 t -94.05 152.62 3.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.64 80.0 1.85 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.195 0.934 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.31 105.32 6.27 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.38 1.05 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.1 tpt180 -81.64 -69.51 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 164.24 -47.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.38 1.05 . . . . 0.0 110.303 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -83.25 -40.84 19.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.18 . . . . 0.0 109.353 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 19.8 m-85 -134.18 166.81 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.793 HG21 HG11 ' A' ' 23' ' ' VAL . 95.1 t -110.38 123.53 66.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 124.629 1.206 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 29.7 ttm180 -115.55 155.05 28.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.18 . . . . 0.0 110.389 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.455 HG23 HG22 ' A' ' 41' ' ' VAL . 2.4 mt -144.62 166.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.596 1.185 . . . . 0.0 109.209 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -167.24 131.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.632 1.208 . . . . 0.0 109.158 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 39' ' ' ILE . . . -178.84 -164.31 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.427 1.08 . . . . 0.0 109.126 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 155.02 1.86 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.483 ' HA2' HG22 ' A' ' 13' ' ' VAL . . . -93.67 58.39 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.647 1.217 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.55 92.09 0.06 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.71 0.888 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.618 HD22 HD11 ' A' ' 39' ' ' ILE . 3.2 mt -137.36 176.59 8.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.337 1.023 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.408 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 1.1 pp -151.3 143.77 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.617 1.198 . . . . 0.0 109.268 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 136.51 47.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.607 1.192 . . . . 0.0 109.389 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.2 p -140.25 19.8 2.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.325 1.016 . . . . 0.0 110.374 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 34.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.505 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -51.91 -23.53 5.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 63' ' ' LEU . 7.1 t -67.79 -49.8 60.41 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.361 1.038 . . . . 0.0 110.471 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.9 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -74.08 -38.14 64.0 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.342 1.026 . . . . 0.0 109.406 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.612 ' HA ' HD12 ' A' ' 67' ' ' LEU . 2.7 mm-40 -66.94 -32.08 73.09 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.4 mm-40 -71.54 -44.24 64.96 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.684 1.24 . . . . 0.0 110.229 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.47 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.1 mm-40 -64.2 -49.17 73.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.621 1.201 . . . . 0.0 110.346 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.675 HD11 HG11 ' A' ' 26' ' ' VAL . 20.2 mt -42.81 -28.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.171 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.622 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -159.49 64.63 0.29 Allowed Glycine 0 CA--C 1.533 1.201 0 O-C-N 124.622 1.201 . . . . 0.0 111.074 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.621 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 15.4 mtm180 -51.77 -44.18 90.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 110.335 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.89 56.33 4.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.656 1.872 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.78 -159.92 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.6 1.187 . . . . 0.0 110.919 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.625 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -152.67 153.09 32.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.102 . . . . 0.0 109.145 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -33.3 56.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.89 -44.04 86.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.216 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -65.66 -23.62 66.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.454 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.772 ' O ' HD13 ' A' ' 80' ' ' LEU . 1.6 mp -62.76 -54.65 35.81 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.405 1.066 . . . . 0.0 109.309 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HA ' HD22 ' A' ' 80' ' ' LEU . 33.0 tt0 -64.37 -11.88 36.99 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.572 1.17 . . . . 0.0 110.439 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.721 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -91.75 -71.5 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.411 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.721 ' N ' HG22 ' A' ' 78' ' ' ILE . 5.4 m-20 -86.69 74.45 9.83 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.452 1.095 . . . . 0.0 109.386 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -124.17 142.29 51.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.597 1.186 . . . . 0.0 109.509 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.654 ' HB3' ' C ' ' A' ' 16' ' ' ILE . . . -39.7 -71.03 0.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.411 1.069 . . . . 0.0 109.375 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.95 -166.06 0.28 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.529 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 36.1 m-85 -153.74 -174.93 5.14 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.613 1.196 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -153.57 24.98 0.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.95 -138.41 2.94 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.396 1.06 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -116.63 153.07 32.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.38 0.694 . . . . 0.0 110.147 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.464 HD13 ' C ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -143.4 138.21 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 18.0 mt-30 -127.93 153.68 46.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.319 1.012 . . . . 0.0 110.378 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.74 139.97 49.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.171 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 91' ' ' GLU . 5.4 t0 -112.35 -179.53 3.7 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.152 . . . . 0.0 109.243 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -32.51 -46.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.26 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -155.94 66.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 0.0 109.264 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.5 pt20 -176.66 166.99 2.66 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -150.74 127.65 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.702 1.251 . . . . 0.0 109.257 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.64 159.5 27.75 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 39.5 m-85 -121.35 143.0 49.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 86' ' ' GLN . 5.0 p90 -158.56 143.32 16.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.491 ' HB2' HG13 ' A' ' 13' ' ' VAL . 4.2 t80 -110.88 46.86 1.03 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.48 148.56 40.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.415 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 -80.09 0.58 Allowed 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.518 1.136 . . . . 0.0 109.588 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 101' ' ' THR . 14.8 t -68.24 104.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.532 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.612 0 O-C-N 124.377 1.048 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 t -165.56 57.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.184 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.94 151.01 35.11 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.43 1.081 . . . . 0.0 109.239 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.09 110.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -164.92 90.08 0.51 Allowed 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.44 1.088 . . . . 0.0 109.432 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.602 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -178.63 132.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.354 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . 77.68 106.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.727 1.267 . . . . 0.0 109.364 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.33 -89.94 0.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 9.6 t-80 179.49 -67.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.406 1.066 . . . . 0.0 109.508 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 11' ' ' ASN . 7.1 t30 -163.42 161.58 24.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 10' ' ' ASN . 19.7 m-80 -163.87 -88.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.192 0.932 . . . . 0.0 109.235 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -155.66 150.68 26.57 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.459 1.099 . . . . 0.0 109.139 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.685 HG12 ' HB2' ' A' ' 98' ' ' PHE . 14.4 m -97.16 179.89 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.199 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.506 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -165.47 93.57 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.17 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.83 105.57 2.1 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.464 ' HB ' ' CB ' ' A' ' 82' ' ' SER . 23.1 mm -96.07 124.2 48.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 109.385 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.448 HG22 ' HA ' ' A' ' 80' ' ' LEU . 32.1 pt -148.8 -172.41 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 47' ' ' TYR . 8.2 ptm180 -102.08 172.64 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.665 1.228 . . . . 0.0 110.197 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.553 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -83.82 98.75 9.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.624 1.202 . . . . 0.0 109.315 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.59 -90.27 0.45 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.344 1.028 . . . . 0.0 111.178 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.96 131.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.308 0.651 . . . . 0.0 109.267 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.3 mp 66.81 22.62 10.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.485 1.116 . . . . 0.0 109.375 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG11 HG21 ' A' ' 48' ' ' VAL . 1.4 t -77.94 -9.84 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 O-C-N 124.316 1.01 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -78.38 -58.66 0.78 Allowed Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.44 1.088 . . . . 0.0 110.098 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.7 Cg_endo -75.04 -11.39 21.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.411 1.742 . . . . 0.0 110.86 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.741 HG13 HD11 ' A' ' 63' ' ' LEU . 13.9 t -88.02 -42.84 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.13 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 24' ' ' GLU . 9.3 tp -69.38 -42.86 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 109.232 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.33 -42.54 98.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.394 1.059 . . . . 0.0 110.41 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.5 m -74.6 -30.46 61.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.683 1.239 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.74 -14.99 60.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -88.39 -43.36 11.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.359 1.037 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 28' ' ' GLU . 6.1 pt -63.63 -28.4 44.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.497 1.123 . . . . 0.0 109.213 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -57.26 -44.22 83.72 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.669 1.231 . . . . 0.0 109.186 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -105.32 165.81 12.5 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.386 1.054 . . . . 0.0 109.318 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.83 52.8 3.08 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.68 60.72 1.47 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.595 1.185 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 47.9 1.37 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.526 0.78 . . . . 0.0 109.257 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 179.2 38.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.365 1.041 . . . . 0.0 110.268 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 39' ' ' ILE . 22.7 mm -84.88 151.29 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.367 1.042 . . . . 0.0 109.458 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.425 ' HB ' ' HB3' ' A' ' 51' ' ' ALA . 49.8 m -123.57 111.86 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.349 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 50' ' ' ILE . 42.6 t -109.83 146.13 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 O-C-N 124.303 1.002 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -140.47 82.73 1.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.684 1.24 . . . . 0.0 110.237 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.09 106.52 16.62 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.395 1.059 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 30.5 tpt180 -80.28 -61.28 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.172 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 161.82 -47.43 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.507 1.13 . . . . 0.0 110.476 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.53 -53.39 6.91 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.481 1.113 . . . . 0.0 109.401 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 26.2 m-85 -121.52 171.26 8.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' ' 19' ' ' ALA . 73.3 t -117.71 123.44 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -118.82 111.95 19.08 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.385 1.053 . . . . 0.0 110.227 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 51' ' ' ALA . 4.7 mt -113.18 165.39 8.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.577 1.173 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.491 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -146.88 123.37 11.05 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.459 1.099 . . . . 0.0 109.421 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.96 ' HB1' ' CD2' ' A' ' 56' ' ' LEU . . . -116.51 161.2 19.5 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.555 1.16 . . . . 0.0 109.157 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 13' ' ' VAL . 5.9 pt-20 -58.21 -165.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.1 -82.92 0.04 OUTLIER Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.358 1.036 . . . . 0.0 110.948 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -110.32 145.48 37.39 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.471 0.748 . . . . 0.0 110.348 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.96 ' CD2' ' HB1' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -144.87 172.81 12.51 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.541 1.15 . . . . 0.0 109.384 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -150.87 128.55 2.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.63 1.206 . . . . 0.0 109.282 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 96' ' ' PHE . 8.1 mt -121.66 156.57 32.74 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.491 1.12 . . . . 0.0 109.194 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.7 p -145.2 19.11 1.57 Allowed 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.412 1.07 . . . . 0.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.44 44.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.773 1.296 . . . . 0.0 110.362 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -64.71 -13.74 55.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.7 t -80.44 -41.51 24.35 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.499 1.124 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.882 HD23 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -66.65 -45.06 80.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.393 1.058 . . . . 0.0 109.185 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.882 ' N ' HD23 ' A' ' 63' ' ' LEU . 3.4 mt-10 -66.18 -40.14 90.25 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.398 1.061 . . . . 0.0 110.124 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.1 mt-10 -64.71 -42.36 95.34 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.443 1.089 . . . . 0.0 110.23 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.46 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -61.13 -52.0 66.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.209 -179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 64' ' ' GLU . 30.7 mt -40.62 -29.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.397 1.061 . . . . 0.0 109.241 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.638 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.11 64.99 0.31 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.361 1.038 . . . . 0.0 110.972 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 29.2 mtm180 -52.0 -43.79 90.31 Favored Pre-proline 0 C--N 1.322 -0.612 0 O-C-N 124.748 0.911 . . . . 0.0 110.272 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.22 55.43 4.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.483 1.781 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.73 -168.4 2.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.763 1.29 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.619 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -150.7 167.28 27.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -28.72 47.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.327 1.017 . . . . 0.0 111.0 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -49.67 -40.38 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.379 1.05 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ILE . 2.5 mm-40 -60.75 -47.0 88.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.6 mt -44.39 -45.05 8.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.637 1.21 . . . . 0.0 109.293 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 15.9 tt0 -54.9 -37.12 65.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.714 1.259 . . . . 0.0 110.116 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.737 HD12 ' C ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -85.4 -41.6 15.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.631 1.207 . . . . 0.0 109.193 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' N ' HG13 ' A' ' 78' ' ' ILE . 6.1 m-80 -77.66 69.16 3.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.198 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.538 ' C ' HD23 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -154.65 178.4 10.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.424 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.47 -66.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.185 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.506 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -146.57 -176.23 5.1 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.398 1.061 . . . . 0.0 110.199 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 87' ' ' ILE . 32.7 m-85 -160.82 120.48 2.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.506 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -87.87 46.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 124.374 1.046 . . . . 0.0 109.27 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 160.58 -170.16 36.47 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.488 1.117 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 11.5 mp0 -109.99 126.7 54.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.902 HG21 ' CD2' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -125.46 130.81 72.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.346 1.029 . . . . 0.0 109.192 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.19 162.31 27.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.3 1.0 . . . . 0.0 110.378 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.88 146.75 44.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.239 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.514 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.6 t0 -104.79 -171.96 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.4 pt-20 -29.36 -53.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.363 1.039 . . . . 0.0 110.368 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' O ' ' CD ' ' A' ' 61' ' ' LYS . 8.2 p-10 -154.12 65.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.381 1.051 . . . . 0.0 109.221 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.499 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -169.44 167.3 10.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.789 1.306 . . . . 0.0 110.195 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.79 120.04 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.91 162.26 18.43 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.577 1.173 . . . . 0.0 110.104 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.902 ' CD2' HG21 ' A' ' 87' ' ' ILE . 6.4 m-85 -130.95 159.54 37.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 29.5 p90 -178.32 138.05 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.682 1.239 . . . . 0.0 111.184 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.685 ' HB2' HG12 ' A' ' 13' ' ' VAL . 49.7 t80 -116.71 93.02 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.323 1.014 . . . . 0.0 111.208 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 0.6 OUTLIER -133.81 152.38 51.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.514 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HE2' ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -95.19 -87.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.406 1.066 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.2 t -76.17 129.75 37.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 O-C-N 124.265 0.978 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -61.83 136.82 58.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.437 1.086 . . . . 0.0 110.66 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.48 -178.56 6.73 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 124.518 1.136 . . . . 0.0 109.464 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.86 -178.83 3.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.464 1.102 . . . . 0.0 109.37 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.26 174.63 5.89 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 124.381 1.051 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -154.46 179.62 8.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.355 1.034 . . . . 0.0 110.281 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.473 ' H ' HD12 ' A' ' 8' ' ' LEU . . . -146.54 76.79 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.196 . . . . 0.0 109.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD12 ' H ' ' A' ' 7' ' ' ALA . 2.6 mp -142.15 -165.56 2.04 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.683 1.239 . . . . 0.0 109.195 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' ASN . 42.4 m170 65.11 164.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.403 1.064 . . . . 0.0 109.688 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -53.15 91.16 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 124.348 1.03 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.518 ' N ' ' CD2' ' A' ' 98' ' ' PHE . 2.7 m-20 -127.55 -80.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.591 1.182 . . . . 0.0 109.38 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -159.21 157.7 31.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.617 1.198 . . . . 0.0 109.171 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 ' HB3' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -115.18 138.75 44.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.779 1.299 . . . . 0.0 109.296 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.684 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -140.19 86.97 0.2 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 1.008 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.3 Cg_endo -75.21 140.28 24.72 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.521 1.8 . . . . 0.0 110.96 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.008 HD13 ' O ' ' A' ' 15' ' ' PRO . 5.3 mm -130.73 130.61 64.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.429 1.081 . . . . 0.0 109.4 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 16' ' ' ILE . 12.3 pt -160.07 156.74 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' CD ' ' HB3' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -53.78 177.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.376 1.047 . . . . 0.0 110.18 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.016 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -148.39 154.62 40.17 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.38 1.05 . . . . 0.0 109.214 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.25 58.48 0.26 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.457 1.098 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.474 ' O ' HD22 ' A' ' 67' ' ' LEU . 5.3 t0 -170.87 39.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.38 0.694 . . . . 0.0 109.224 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.49 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 1.4 mp 64.6 23.61 12.86 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.65 HG12 HG21 ' A' ' 48' ' ' VAL . 1.4 t -78.26 -10.58 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.387 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.533 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.4 mt-10 -75.55 -58.33 1.44 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.523 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.2 Cg_endo -75.29 -12.28 20.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.935 HG13 HD11 ' A' ' 63' ' ' LEU . 3.9 t -87.45 -46.69 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.654 ' CG1' HD11 ' A' ' 50' ' ' ILE . 5.2 tp -64.92 -37.53 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.404 1.065 . . . . 0.0 109.454 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -68.82 -38.53 79.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.654 1.221 . . . . 0.0 110.241 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.9 m -74.89 -29.28 60.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.187 . . . . 0.0 110.484 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.31 -22.75 61.14 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.471 1.107 . . . . 0.0 109.398 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -80.44 -48.43 12.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.215 0.947 . . . . 0.0 110.255 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.686 HG23 ' O ' ' A' ' 28' ' ' GLU . 4.8 pt -60.09 -30.6 46.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 124.586 1.179 . . . . 0.0 109.464 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.444 ' CB ' ' NH2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -65.33 -44.2 88.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.616 1.197 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.71 164.7 28.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.252 0.97 . . . . 0.0 109.353 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 53.5 3.37 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 39' ' ' ILE . . . -95.35 56.3 1.73 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.125 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 40.93 1.04 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.41 0.712 . . . . 0.0 109.482 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 179.77 54.26 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.238 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 52' ' ' ALA . 1.7 mp -131.95 156.55 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.7 m -117.92 112.89 20.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.699 1.25 . . . . 0.0 110.392 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.428 HG22 HG23 ' A' ' 50' ' ' ILE . 29.8 t -95.69 144.44 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 49' ' ' ARG . 4.1 mm-40 -132.14 76.85 1.72 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -97.21 101.18 12.68 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.701 1.251 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.5 tpt180 -80.41 -56.94 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.415 1.072 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 161.12 -49.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 -50.81 31.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.276 0.985 . . . . 0.0 109.227 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -124.86 167.16 15.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.432 1.082 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.016 HG23 ' HB2' ' A' ' 19' ' ' ALA . 70.8 t -125.69 120.16 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.668 1.23 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -127.31 150.74 49.45 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.343 1.027 . . . . 0.0 110.383 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.654 HD11 ' CG1' ' A' ' 27' ' ' ILE . 14.4 mt -134.14 170.63 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.334 1.022 . . . . 0.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.513 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -149.29 88.05 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.469 1.106 . . . . 0.0 109.231 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.845 ' HB3' HD11 ' A' ' 56' ' ' LEU . . . -97.15 -172.56 2.46 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.521 1.138 . . . . 0.0 109.471 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -78.64 -45.37 21.65 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' HA3' ' CG ' ' A' ' 98' ' ' PHE . . . 151.24 -38.86 0.82 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.389 1.056 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -86.5 101.46 13.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 0.718 . . . . 0.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 52' ' ' ALA . 10.0 mt -137.02 160.36 39.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.332 1.02 . . . . 0.0 109.229 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.744 HD11 ' NE2' ' A' ' 93' ' ' GLN . 0.3 OUTLIER -155.56 129.83 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.699 ' N ' HD13 ' A' ' 57' ' ' ILE . 3.8 mt -131.43 150.12 52.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 p -148.6 18.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.473 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -82.05 50.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.396 1.06 . . . . 0.0 110.288 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -16.25 43.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.646 1.216 . . . . 0.0 109.214 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -82.0 -40.81 21.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.935 HD11 HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.44 -45.12 85.08 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.561 ' N ' HD23 ' A' ' 63' ' ' LEU . 6.5 mt-10 -68.52 -36.83 79.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.259 0.974 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' ARG . 21.0 mt-10 -68.99 -40.05 79.02 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.332 1.02 . . . . 0.0 110.064 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 4.3 mt-30 -61.49 -50.12 74.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 26' ' ' VAL . 61.7 mt -40.58 -31.18 0.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.702 1.251 . . . . 0.0 109.228 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.627 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.93 65.28 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.412 1.07 . . . . 0.0 111.055 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.611 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 12.6 mtp-105 -51.15 -44.46 87.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.64 0.847 . . . . 0.0 110.254 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 19.4 Cg_endo -74.76 57.99 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 111.183 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.654 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.29 -167.68 1.98 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.539 1.15 . . . . 0.0 110.832 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' CE2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -134.27 -175.25 3.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.651 1.219 . . . . 0.0 109.272 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.1 -16.18 57.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.33 -31.21 71.07 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.492 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 1.6 mt-10 -66.84 -33.92 76.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.368 1.042 . . . . 0.0 110.314 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.517 ' O ' HD21 ' A' ' 80' ' ' LEU . 31.6 mt -61.57 -57.68 11.12 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.767 ' HA ' HD11 ' A' ' 80' ' ' LEU . 7.7 pt-20 -65.18 -19.59 66.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 79' ' ' ASN . 1.3 mt -81.75 -62.24 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.672 1.232 . . . . 0.0 109.441 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.512 ' O ' HD23 ' A' ' 80' ' ' LEU . 77.5 m-20 -68.74 67.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.232 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.767 HD11 ' HA ' ' A' ' 77' ' ' GLU . 55.1 mt -123.31 162.59 22.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.362 1.039 . . . . 0.0 109.492 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB3' ' C ' ' A' ' 16' ' ' ILE . . . -126.3 -71.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.87 -178.42 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 109.787 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -167.25 143.14 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 111.051 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.684 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -91.32 -80.55 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.394 1.058 . . . . 0.0 109.216 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.521 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -62.31 -148.37 0.02 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.471 1.107 . . . . 0.0 111.132 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -121.46 157.8 29.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 0.756 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.804 HG22 ' CD1' ' A' ' 96' ' ' PHE . 1.1 pp -125.78 150.75 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.627 1.204 . . . . 0.0 109.196 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -139.18 120.42 14.78 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.556 1.16 . . . . 0.0 110.152 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.8 135.56 44.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.553 1.158 . . . . 0.0 109.548 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 91' ' ' GLU . 10.9 t0 -105.8 179.92 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.667 1.229 . . . . 0.0 109.272 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.29 -44.37 0.13 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.372 1.045 . . . . 0.0 110.143 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -158.11 64.91 0.45 Allowed 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.404 1.065 . . . . 0.0 109.446 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.744 ' NE2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -173.44 163.83 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.334 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.54 124.28 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 155.04 47.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.419 1.074 . . . . 0.0 110.227 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.804 ' CD1' HG22 ' A' ' 87' ' ' ILE . 17.8 m-30 -119.07 138.47 52.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 111.033 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.556 ' O ' ' CD2' ' A' ' 97' ' ' TYR . 46.9 p90 -140.54 113.98 8.65 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.631 1.207 . . . . 0.0 110.882 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -78.35 4.19 13.63 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.688 1.242 . . . . 0.0 110.883 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.57 91.34 7.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.187 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -79.56 -74.89 0.27 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.28 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 t -67.72 121.67 16.45 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 110.336 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.57 0 O-C-N 124.621 1.201 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' THR . 2.4 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' SER . 18.0 p -54.03 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.444 1.09 . . . . 0.0 110.464 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.696 HD13 ' H ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -117.66 -171.41 2.05 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.62 176.91 6.87 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.624 1.203 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -156.95 -178.11 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' HB2' HD23 ' A' ' 8' ' ' LEU . 9.0 pt20 -155.1 178.06 10.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.335 1.022 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.649 ' C ' HD22 ' A' ' 8' ' ' LEU . . . -142.12 59.27 1.47 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.649 HD22 ' C ' ' A' ' 7' ' ' ALA . 1.3 mm? -110.32 -172.66 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.186 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 65.29 -163.12 0.26 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.511 1.132 . . . . 0.0 109.677 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -48.37 135.63 13.57 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.645 1.216 . . . . 0.0 109.319 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -154.55 -82.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.644 1.215 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.603 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 4.3 p-10 -168.56 142.24 3.1 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.512 1.133 . . . . 0.0 109.185 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 98' ' ' PHE . 4.5 m -95.05 167.59 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.703 1.252 . . . . 0.0 109.38 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.55 ' HA3' ' HB3' ' A' ' 84' ' ' ALA . . . -162.31 73.8 0.19 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.352 1.033 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.887 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.0 Cg_endo -75.12 130.56 13.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.633 1.859 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 15' ' ' PRO . 3.0 mm -124.49 133.51 69.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.0 pt -144.71 171.39 6.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.614 1.196 . . . . 0.0 109.37 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.55 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 4.5 ptt180 -105.96 49.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . . . -66.2 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.55 82.0 0.32 Allowed Glycine 0 CA--C 1.533 1.159 0 O-C-N 124.565 1.166 . . . . 0.0 110.868 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.14 -70.02 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.654 0.855 . . . . 0.0 109.394 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.45 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 28.4 mt -145.22 18.0 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 O-C-N 124.447 1.092 . . . . 0.0 109.174 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.609 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.2 t -79.16 -9.67 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -73.69 -59.34 1.94 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.252 0.97 . . . . 0.0 110.442 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -75.01 -13.03 21.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.629 1.858 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.641 HG13 HD11 ' A' ' 63' ' ' LEU . 3.2 t -87.12 -45.25 16.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 23' ' ' VAL . 6.6 tp -68.06 -35.97 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 O-C-N 124.408 1.068 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.917 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -66.72 -42.16 86.78 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.535 1.147 . . . . 0.0 110.445 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -77.43 -27.5 52.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 110.401 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.45 -17.32 52.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.601 1.188 . . . . 0.0 109.227 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -89.53 -39.27 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.353 1.033 . . . . 0.0 110.395 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.6 pp -67.79 -29.41 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 124.539 1.149 . . . . 0.0 109.448 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -62.39 -24.62 67.48 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.569 1.168 . . . . 0.0 109.086 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.26 155.05 44.16 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.552 1.157 . . . . 0.0 109.227 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.1 56.23 4.24 Favored 'Trans proline' 0 C--N 1.362 1.271 0 O-C-N 124.239 1.652 . . . . 0.0 111.21 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.82 58.91 1.8 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.64 1.213 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 46.12 1.35 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.324 0.661 . . . . 0.0 109.359 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -178.62 50.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -130.11 148.87 33.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.415 1.072 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -116.36 113.22 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.596 1.185 . . . . 0.0 110.462 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.61 HG22 HG23 ' A' ' 50' ' ' ILE . 99.0 t -103.0 129.31 54.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 124.28 0.988 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.88 86.04 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.48 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -97.17 124.89 41.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.389 1.056 . . . . 0.0 109.45 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -95.81 -53.41 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 162.97 -62.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.385 1.053 . . . . 0.0 110.262 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.578 ' C ' ' CD1' ' A' ' 47' ' ' TYR . . . -87.97 11.86 14.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.458 1.098 . . . . 0.0 109.216 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' ' 46' ' ' ALA . 61.6 m-85 -155.22 178.91 9.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.787 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.768 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 71.6 t -156.35 118.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.19 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 36.5 ttt180 -118.26 146.54 44.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.255 0.972 . . . . 0.0 110.372 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.61 HG23 HG22 ' A' ' 41' ' ' VAL . 5.7 mt -130.92 157.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 O-C-N 124.614 1.197 . . . . 0.0 109.389 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.55 124.0 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.404 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' HB1' ' CD2' ' A' ' 56' ' ' LEU . . . -138.78 129.03 25.61 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.619 1.199 . . . . 0.0 109.21 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.22 71.66 7.22 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.664 1.227 . . . . 0.0 110.353 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.29 -90.92 0.13 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.488 1.118 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.79 ' C ' HD22 ' A' ' 56' ' ' LEU . 6.0 pt-20 -179.64 161.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.339 0.67 . . . . 0.0 110.121 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.79 HD22 ' C ' ' A' ' 55' ' ' GLU . 3.4 mm? -141.16 174.13 10.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.227 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pp -148.58 139.75 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.162 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.418 ' HB2' HG23 ' A' ' 94' ' ' ILE . 1.5 mt -125.27 156.54 38.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.217 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.9 p -142.99 15.6 1.91 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 1.15 . . . . 0.0 110.386 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.72 42.05 1.03 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.641 1.213 . . . . 0.0 110.174 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -21.56 25.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.379 1.05 . . . . 0.0 109.166 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -49.79 41.2 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.66 1.225 . . . . 0.0 110.422 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.641 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -59.77 -45.9 90.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.207 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.828 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -65.26 -41.34 94.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.349 1.031 . . . . 0.0 110.314 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' ARG . 14.0 mt-10 -63.91 -43.01 97.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 110.13 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.505 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.2 mt-30 -61.07 -52.45 64.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.348 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.828 HD12 ' HA ' ' A' ' 64' ' ' GLU . 13.2 mt -40.41 -29.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.172 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -158.4 66.7 0.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.651 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 7.2 mtp180 -55.31 -42.52 96.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.399 0.706 . . . . 0.0 110.236 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.02 3.6 5.49 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.302 1.685 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.747 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -98.22 -177.97 3.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.395 1.059 . . . . 0.0 111.162 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.614 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -140.84 166.1 25.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -15.92 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -30.97 70.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.403 1.064 . . . . 0.0 110.204 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' ASN . 0.6 OUTLIER -71.95 -28.65 63.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.17 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.42 -48.03 79.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.529 ' O ' HD21 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -73.72 -25.08 60.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.207 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.668 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -80.49 -65.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.659 1.224 . . . . 0.0 109.326 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.668 ' N ' HG22 ' A' ' 78' ' ' ILE . 2.4 m-20 -70.5 86.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.596 1.185 . . . . 0.0 109.198 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.529 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -148.95 167.7 25.06 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.435 1.084 . . . . 0.0 109.231 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.56 -72.03 0.7 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.607 1.192 . . . . 0.0 109.421 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -147.67 -175.1 4.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.589 1.181 . . . . 0.0 110.025 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 82' ' ' SER . 45.9 m-85 -166.26 125.6 1.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.283 0.989 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.55 ' HB3' ' HA3' ' A' ' 14' ' ' GLY . . . -101.87 37.26 1.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.412 1.07 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.43 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -174.97 -152.77 9.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.528 1.143 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -126.07 165.08 19.5 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.364 0.685 . . . . 0.0 110.271 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 94' ' ' ILE . 16.0 tt -143.55 159.93 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -152.88 176.44 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 110.257 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.31 154.42 34.54 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.632 1.208 . . . . 0.0 109.207 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 10.6 t0 -120.12 -172.2 2.3 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.549 1.156 . . . . 0.0 109.211 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.6 pt-20 -31.65 -53.21 0.25 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.593 1.183 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.61 60.85 0.81 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.636 1.21 . . . . 0.0 109.414 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.471 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -162.43 168.7 21.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.327 1.017 . . . . 0.0 110.337 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 87' ' ' ILE . 2.3 tt -133.98 120.36 35.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -106.61 160.91 15.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.402 1.064 . . . . 0.0 110.459 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.604 ' CZ ' HD12 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -141.92 144.81 33.96 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.4 1.063 . . . . 0.0 110.958 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 55' ' ' GLU . 11.9 p90 -176.15 158.73 1.99 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.725 1.265 . . . . 0.0 110.776 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.685 ' HB2' HG13 ' A' ' 13' ' ' VAL . 59.7 t80 -106.66 87.87 2.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.84 118.51 14.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.458 1.098 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.38 -82.26 0.09 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.4 t -70.77 130.25 41.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 124.541 1.15 . . . . 0.0 110.482 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.4 mtt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.747 1.28 . . . . 0.0 111.136 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 m -39.26 141.43 0.34 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.373 1.046 . . . . 0.0 110.416 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.98 92.74 0.22 Allowed 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 124.389 1.056 . . . . 0.0 109.402 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.38 117.46 4.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.212 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.88 107.88 19.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.713 1.258 . . . . 0.0 109.206 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.6 129.28 49.12 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -123.15 -128.49 0.26 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.605 1.191 . . . . 0.0 109.308 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD13 ' HZ ' ' A' ' 98' ' ' PHE . 4.5 mt -150.2 -93.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.653 ' HB2' HG22 ' A' ' 101' ' ' THR . 28.6 t60 65.0 88.44 0.1 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.547 1.154 . . . . 0.0 109.598 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.3 t30 62.24 120.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.623 1.202 . . . . 0.0 109.261 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -173.29 -88.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.579 1.174 . . . . 0.0 109.189 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -157.28 134.35 10.27 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.437 1.086 . . . . 0.0 109.163 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG12 ' CD1' ' A' ' 98' ' ' PHE . 21.5 m -104.73 177.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 124.575 1.172 . . . . 0.0 109.407 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.586 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -168.92 94.37 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.196 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 18.1 Cg_endo -75.02 127.25 10.52 Favored 'Trans proline' 0 C--N 1.356 0.955 0 O-C-N 124.466 1.771 . . . . 0.0 110.999 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 15.9 mm -114.05 128.4 71.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.651 1.219 . . . . 0.0 109.351 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 16' ' ' ILE . 43.9 pt -152.71 175.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 124.67 1.231 . . . . 0.0 109.138 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -82.34 165.76 20.06 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -102.27 144.86 30.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.722 1.264 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.94 -80.43 1.21 Allowed Glycine 0 CA--C 1.532 1.135 0 O-C-N 124.595 1.184 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.69 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 0.775 . . . . 0.0 109.243 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.537 HD23 ' HG2' ' A' ' 25' ' ' PRO . 1.7 mt -108.36 17.21 22.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.111 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.741 HG11 HG21 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -82.38 -12.32 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 124.269 0.981 . . . . 0.0 109.206 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -78.95 -54.87 1.0 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.73 1.269 . . . . 0.0 110.361 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.537 ' HG2' HD23 ' A' ' 22' ' ' LEU . 18.8 Cg_endo -75.07 -13.63 21.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.644 1.865 . . . . 0.0 110.977 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.811 ' CG1' HD21 ' A' ' 63' ' ' LEU . 9.0 t -88.1 -47.52 15.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.435 1.084 . . . . 0.0 109.177 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.575 HD11 HD11 ' A' ' 50' ' ' ILE . 7.8 tp -62.74 -34.9 68.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -69.13 -50.43 47.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.579 1.174 . . . . 0.0 110.13 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 m -69.94 -21.85 63.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.96 -18.02 41.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.636 1.21 . . . . 0.0 109.107 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' ASN . 39.2 mm-40 -84.86 -38.42 19.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.405 1.066 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.636 ' C ' HD12 ' A' ' 32' ' ' ILE . 1.2 pp -71.42 -38.96 70.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.58 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -53.35 -27.2 22.41 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -115.41 157.86 42.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 124.559 1.162 . . . . 0.0 109.38 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 55.2 3.94 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.35 55.48 2.07 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.534 1.146 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.53 46.42 1.38 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 0.731 . . . . 0.0 109.295 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.98 50.79 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 124.297 0.998 . . . . 0.0 110.306 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.737 HG12 ' HB2' ' A' ' 52' ' ' ALA . 1.3 mp -132.82 127.86 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.642 1.214 . . . . 0.0 109.185 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -95.27 114.2 25.95 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.384 1.053 . . . . 0.0 110.294 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.98 142.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -132.08 69.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.133 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.77 ' OD1' HG13 ' A' ' 48' ' ' VAL . 72.1 m-20 -92.43 110.23 21.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.623 1.202 . . . . 0.0 109.239 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 3.9 tpt180 -82.88 -57.67 3.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.353 1.033 . . . . 0.0 110.188 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER 161.87 -48.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.38 1.05 . . . . 0.0 110.332 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.69 -26.71 37.36 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 109.39 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -138.92 167.1 22.79 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 111.194 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.77 HG13 ' OD1' ' A' ' 43' ' ' ASP . 52.1 t -130.11 115.75 34.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.573 1.17 . . . . 0.0 109.208 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 16.1 ttp-105 -121.0 152.16 38.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.249 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.575 HD11 HD11 ' A' ' 27' ' ' ILE . 6.5 mt -136.35 166.43 26.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.608 1.193 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.412 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -146.85 116.18 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.755 1.284 . . . . 0.0 109.23 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.737 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -131.04 -170.2 2.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.638 1.211 . . . . 0.0 109.139 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -25.95 34.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.451 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . 94.78 58.54 1.18 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.622 1.201 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.734 ' H ' HD22 ' A' ' 56' ' ' LEU . 13.0 pt-20 -176.7 53.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.734 HD22 ' H ' ' A' ' 55' ' ' GLU . 2.3 mm? -116.44 -179.04 3.56 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.623 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -149.91 150.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.625 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -139.2 153.08 47.84 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.322 1.014 . . . . 0.0 109.412 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.7 p -143.64 14.57 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.36 1.038 . . . . 0.0 110.465 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 48.01 1.56 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.72 1.262 . . . . 0.0 110.233 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -21.14 66.16 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.617 1.198 . . . . 0.0 109.22 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 t -73.44 -35.97 65.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.811 HD21 ' CG1' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -75.93 -40.34 54.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.306 1.004 . . . . 0.0 109.325 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.597 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -71.61 -27.12 62.9 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.819 1.325 . . . . 0.0 110.506 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -38.5 55.22 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.611 1.194 . . . . 0.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.465 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -68.25 -48.41 65.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.779 HD11 HG11 ' A' ' 26' ' ' VAL . 56.7 mt -43.46 -27.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.323 1.014 . . . . 0.0 109.196 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.45 65.03 0.32 Allowed Glycine 0 CA--C 1.526 0.746 0 O-C-N 124.703 1.252 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.64 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 11.4 mtp-105 -54.35 -43.23 97.34 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 124.452 0.736 . . . . 0.0 110.199 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.9 Cg_endo -74.94 58.71 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.591 1.837 . . . . 0.0 111.087 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.794 ' HE2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -155.68 -159.34 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.609 1.193 . . . . 0.0 111.063 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.58 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.05 -156.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.2 mtt -89.91 -40.63 12.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.437 1.086 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.32 -33.44 42.53 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.661 1.226 . . . . 0.0 110.377 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.468 ' OE2' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -69.72 -25.43 63.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.794 HD21 ' HE2' ' A' ' 71' ' ' PHE . 74.9 mt -65.83 -52.88 46.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.499 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -70.84 -14.55 62.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 110.357 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.66 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -90.35 -64.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.66 ' N ' HG22 ' A' ' 78' ' ' ILE . 8.7 m-80 -73.01 68.74 0.94 Allowed 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 124.635 1.209 . . . . 0.0 109.436 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -137.46 162.34 33.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.277 0.986 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.95 -56.22 2.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.63 1.206 . . . . 0.0 109.438 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.33 -168.39 0.71 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.333 1.021 . . . . 0.0 110.043 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -170.46 118.12 0.53 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.311 1.007 . . . . 0.0 110.986 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.586 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -88.28 13.33 11.79 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.526 1.141 . . . . 0.0 109.115 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 98' ' ' PHE . . . -148.51 -168.5 14.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -116.44 144.16 44.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 0.739 . . . . 0.0 110.399 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.594 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 30.5 pt -125.97 136.43 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -125.72 119.47 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 110.128 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.3 142.81 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -120.81 -176.15 3.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.281 0.988 . . . . 0.0 109.194 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -29.89 -55.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.383 1.052 . . . . 0.0 110.328 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -151.8 63.7 0.86 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.241 0.963 . . . . 0.0 109.408 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.481 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 10.1 pt20 -174.97 173.92 2.59 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.557 1.161 . . . . 0.0 110.232 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.6 tt -152.1 119.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.385 1.053 . . . . 0.0 109.473 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.86 145.55 35.12 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.17 . . . . 0.0 110.228 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.522 ' CG ' HG22 ' A' ' 87' ' ' ILE . 4.4 m-85 -108.65 118.74 37.57 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.691 1.244 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 19.8 p90 -130.84 164.37 25.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.596 ' CD1' HG12 ' A' ' 13' ' ' VAL . 1.9 t80 -141.07 110.85 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.109 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.446 ' OD1' ' ND1' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -174.43 94.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -61.8 -76.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.152 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.653 HG22 ' HB2' ' A' ' 9' ' ' HIS . 6.0 t -64.47 112.87 3.32 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.456 1.097 . . . . 0.0 110.47 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.352 1.032 . . . . 0.0 110.949 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.2 t -98.11 157.24 16.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.667 1.23 . . . . 0.0 110.305 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.04 175.88 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.22 170.24 12.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.137 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -75.78 165.24 25.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.574 1.171 . . . . 0.0 109.195 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.47 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -122.73 -40.13 2.47 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.656 1.222 . . . . 0.0 110.225 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 59.21 79.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -122.74 -169.37 1.9 Allowed 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.504 1.128 . . . . 0.0 109.596 179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.462 ' NE2' ' NZ ' ' A' ' 100' ' ' LYS . 12.0 m170 66.59 143.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.556 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' HIS . 11.7 p-10 -40.39 130.39 2.3 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.342 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 17.6 m-20 -151.88 -54.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.759 1.287 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' ALA . 21.6 p-10 179.99 147.79 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.356 1.035 . . . . 0.0 109.197 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.528 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -106.8 129.75 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.308 1.005 . . . . 0.0 109.103 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.9 76.79 0.34 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.525 1.141 . . . . 0.0 111.163 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 83' ' ' PHE . 18.6 Cg_endo -75.01 114.05 3.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.519 HG22 ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -109.38 124.31 65.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 O-C-N 124.602 1.189 . . . . 0.0 109.181 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.0 pt -146.63 168.48 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.706 1.253 . . . . 0.0 109.387 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -82.54 -176.39 6.22 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.551 1.157 . . . . 0.0 110.419 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.91 155.17 32.39 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.672 1.233 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.24 -55.09 0.12 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.346 1.029 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.4 t0 179.84 163.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.399 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 2.2 mm? 66.24 10.64 7.31 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.01 HG11 HG21 ' A' ' 48' ' ' VAL . 2.1 t -80.39 -10.03 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.8 mt-10 -77.25 -57.03 1.14 Allowed Pre-proline 0 N--CA 1.452 -0.332 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.1 Cg_endo -75.13 -13.27 21.2 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.506 1.792 . . . . 0.0 110.82 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.095 HG22 HD11 ' A' ' 63' ' ' LEU . 3.3 t -88.49 -46.35 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 23' ' ' VAL . 2.8 tp -68.74 -26.79 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -82.47 -34.47 28.07 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m -82.48 -22.48 35.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.44 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.45 -34.69 41.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.301 1.001 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.87 -45.9 73.22 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 124.663 1.227 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.641 HG23 ' O ' ' A' ' 28' ' ' GLU . 22.4 pt -60.77 -39.41 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -53.12 -24.18 9.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.48 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.45 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -122.93 175.48 2.67 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.413 1.07 . . . . 0.0 109.23 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 17.7 Cg_endo -75.34 80.58 2.47 Favored 'Trans proline' 0 C--N 1.362 1.283 0 O-C-N 124.504 1.792 . . . . 0.0 110.908 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.551 ' HA2' HD13 ' A' ' 39' ' ' ILE . . . -88.97 34.81 3.81 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.479 1.112 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.09 23.05 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 0.798 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.594 ' C ' HD12 ' A' ' 39' ' ' ILE . 4.8 pt-20 -178.74 50.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.356 1.035 . . . . 0.0 110.178 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 38' ' ' GLU . 1.6 mp -137.09 150.72 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.387 1.054 . . . . 0.0 109.169 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.5 m -124.99 115.17 20.13 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.625 1.203 . . . . 0.0 110.472 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.539 HG12 ' OD1' ' A' ' 43' ' ' ASP . 58.3 t -98.58 143.72 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.199 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.57 81.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.215 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.539 ' OD1' HG12 ' A' ' 41' ' ' VAL . 3.1 m-20 -93.44 103.69 15.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.304 1.002 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -81.02 -54.44 5.55 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.429 1.081 . . . . 0.0 110.255 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 5.5 mtt180 162.01 -50.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.62 -54.15 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.366 1.042 . . . . 0.0 109.073 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -105.56 162.81 13.17 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.451 1.094 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.01 HG21 HG11 ' A' ' 23' ' ' VAL . 11.6 t -133.61 114.62 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 124.662 1.226 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -118.8 163.73 16.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.224 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 51' ' ' ALA . 8.7 mt -139.21 171.43 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.044 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -152.46 123.93 7.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.9 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -134.72 174.01 11.05 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.624 1.203 . . . . 0.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -57.84 -21.4 42.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.735 1.272 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.93 37.39 0.58 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -176.55 122.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.9 HD11 ' HB2' ' A' ' 52' ' ' ALA . 24.4 mt -148.69 167.38 25.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -150.69 125.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.725 1.266 . . . . 0.0 109.259 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.99 152.26 36.71 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.568 1.167 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 p -140.94 22.54 2.27 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.567 1.167 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.686 ' HD3' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -85.68 45.05 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.285 0.991 . . . . 0.0 110.35 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -13.44 62.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.14 . . . . 0.0 109.219 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 t -86.6 -33.77 20.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.095 HD11 HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -80.87 -36.01 31.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.624 1.202 . . . . 0.0 109.204 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.501 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.69 -30.24 62.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -73.66 -37.81 65.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.511 1.132 . . . . 0.0 110.486 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.7 mt-30 -66.26 -49.59 66.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 mt -42.28 -28.27 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 0.0 109.165 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.611 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.23 65.38 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 16.2 mtp-105 -53.91 -43.28 96.32 Favored Pre-proline 0 N--CA 1.452 -0.334 0 O-C-N 124.595 0.821 . . . . 0.0 110.442 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.2 Cg_endo -74.9 63.43 5.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.393 1.733 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.83 -162.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 110.822 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -150.07 -163.47 1.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -14.43 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.347 1.029 . . . . 0.0 110.942 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.26 -43.19 99.4 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.74 -21.85 62.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.589 1.181 . . . . 0.0 110.104 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.625 ' O ' HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -65.13 -41.54 94.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.147 . . . . 0.0 109.22 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 12.0 tt0 -89.0 -14.66 36.01 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.667 1.229 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.17 -18.82 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 O-C-N 124.386 1.054 . . . . 0.0 109.622 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.69 ' O ' HD23 ' A' ' 80' ' ' LEU . 48.1 m-20 -97.26 70.77 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.178 . . . . 0.0 109.138 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 79' ' ' ASN . 1.5 mt -135.06 169.04 18.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.652 1.22 . . . . 0.0 109.424 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.519 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -134.13 -47.51 0.78 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.693 1.246 . . . . 0.0 109.473 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.48 -179.47 1.55 Allowed 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.556 1.16 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 1.7 t80 -172.35 150.56 2.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.344 1.027 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.32 -44.6 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.29 -148.82 24.76 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -112.97 166.96 10.92 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.584 0.814 . . . . 0.0 110.078 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.561 HG13 ' CZ ' ' A' ' 83' ' ' PHE . 4.7 mp -123.75 151.32 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.177 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -168.96 127.01 1.01 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.824 ' HB1' ' O ' ' A' ' 93' ' ' GLN . . . -107.42 170.65 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.508 ' CB ' ' OE1' ' A' ' 93' ' ' GLN . 3.6 t70 -119.44 -171.62 2.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.607 1.192 . . . . 0.0 109.448 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.6 pt-20 -32.65 -55.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.773 1.296 . . . . 0.0 110.419 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -148.57 61.79 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.668 1.23 . . . . 0.0 109.247 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.824 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 5.5 pt20 -164.86 173.98 11.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.766 HD11 ' CZ ' ' A' ' 96' ' ' PHE . 0.9 OUTLIER -135.37 120.81 29.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.424 1.078 . . . . 0.0 109.224 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.526 ' HE ' ' NE2' ' A' ' 93' ' ' GLN . 89.9 mtt180 -116.75 147.49 41.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 94' ' ' ILE . 22.9 m-85 -125.32 142.01 51.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.64 1.213 . . . . 0.0 111.018 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CA ' HG11 ' A' ' 13' ' ' VAL . 2.6 p90 -157.97 156.72 31.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.343 1.027 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 11' ' ' ASN . 74.9 t80 -117.0 92.74 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 111.066 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.53 162.11 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' NZ ' ' NE2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -102.63 -165.99 1.24 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.476 1.11 . . . . 0.0 109.195 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 100' ' ' LYS . 3.3 t -41.8 164.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.314 1.009 . . . . 0.0 110.375 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.7 ttm . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.76 1.288 . . . . 0.0 110.949 -179.857 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 2' ' ' THR . 14.6 t -158.2 52.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.366 1.041 . . . . 0.0 110.467 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.82 111.64 23.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.2 167.04 22.61 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.581 1.175 . . . . 0.0 109.504 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.3 OUTLIER -129.04 146.76 50.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.311 1.007 . . . . 0.0 109.329 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -90.68 -74.54 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.458 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.68 84.36 0.41 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.587 1.18 . . . . 0.0 109.411 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -112.82 -177.26 3.1 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.653 1.221 . . . . 0.0 109.322 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m170 63.67 88.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.51 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.87 146.74 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.373 1.046 . . . . 0.0 109.372 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 6.8 m-20 -179.54 -78.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -177.3 139.36 0.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -104.29 135.19 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.259 0.974 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.658 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -121.53 76.35 0.34 Allowed Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.454 1.096 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.888 ' O ' HD13 ' A' ' 16' ' ' ILE . 19.2 Cg_endo -75.06 140.12 24.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.598 1.841 . . . . 0.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 15' ' ' PRO . 4.6 mm -127.68 138.34 55.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.72 1.262 . . . . 0.0 109.284 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -144.0 177.68 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.625 1.203 . . . . 0.0 109.235 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ALA . 4.2 ptm180 -108.28 57.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.541 ' HB3' HG23 ' A' ' 48' ' ' VAL . . . -38.74 156.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.41 1.069 . . . . 0.0 109.301 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.35 -73.56 0.66 Allowed Glycine 0 CA--C 1.532 1.142 0 O-C-N 124.406 1.066 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -171.93 33.17 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.403 0.707 . . . . 0.0 109.473 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 26.9 mt -149.58 19.17 0.92 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.129 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.593 HG11 HG21 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -84.91 -15.47 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.8 mt-10 -71.95 -55.97 4.92 Favored Pre-proline 0 C--N 1.328 -0.367 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -75.13 -17.81 18.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.653 1.87 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.785 HG13 HD21 ' A' ' 63' ' ' LEU . 4.7 t -81.66 -41.36 18.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 24' ' ' GLU . 2.3 tp -69.29 -38.91 78.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 O-C-N 124.587 1.179 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -61.39 -40.83 95.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.728 1.268 . . . . 0.0 110.491 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 m -80.03 -28.47 39.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.649 1.218 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.82 -14.1 58.92 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.598 1.187 . . . . 0.0 109.333 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.93 -40.94 14.36 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.426 1.079 . . . . 0.0 110.156 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' GLU . 7.8 pt -64.7 -36.82 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.23 -32.28 73.81 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.673 1.233 . . . . 0.0 109.24 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 57' ' ' ILE . 1.5 t-20 -94.51 133.79 26.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.347 1.03 . . . . 0.0 109.195 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 0.3 9.03 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.581 1.832 . . . . 0.0 110.785 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.05 53.33 4.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 67.26 0.22 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -179.76 52.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 40' ' ' THR . 12.2 mt -117.05 158.11 17.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.578 1.174 . . . . 0.0 109.466 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.408 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 3.7 m -113.84 112.87 24.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.474 HG22 HG23 ' A' ' 50' ' ' ILE . 60.1 t -99.48 144.49 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.468 1.105 . . . . 0.0 109.428 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -131.15 115.53 16.51 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -108.3 121.92 45.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 19.9 tpt85 -88.06 -42.5 12.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.604 1.19 . . . . 0.0 110.195 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 3.8 mtt180 159.66 -72.46 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.715 1.26 . . . . 0.0 110.29 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.39 -50.79 11.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 3.7 m-30 -103.24 165.13 11.21 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.593 HG21 HG11 ' A' ' 23' ' ' VAL . 44.2 t -135.41 149.38 28.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.614 1.196 . . . . 0.0 109.179 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -139.31 157.92 45.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 51' ' ' ALA . 18.9 mt -129.49 169.28 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.71 1.257 . . . . 0.0 109.308 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.526 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -149.57 95.01 2.28 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.288 0.993 . . . . 0.0 109.446 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.125 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -101.9 177.79 4.8 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.527 1.142 . . . . 0.0 109.114 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -65.05 -26.9 68.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.579 1.174 . . . . 0.0 110.4 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.32 -56.72 0.52 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -92.3 134.89 34.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 0.827 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.125 HD11 ' CB ' ' A' ' 52' ' ' ALA . 70.7 mt -148.75 159.83 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.363 1.04 . . . . 0.0 109.295 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' O ' HD12 ' A' ' 57' ' ' ILE . 2.7 pp -140.45 129.5 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.642 1.213 . . . . 0.0 109.429 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -129.93 140.55 50.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 109.444 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.5 p -129.91 7.58 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 110.32 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.91 44.98 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 110.238 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -20.13 55.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.373 1.046 . . . . 0.0 109.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 63' ' ' LEU . 13.5 t -71.65 -48.89 44.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.301 1.001 . . . . 0.0 110.219 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.785 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.42 -44.28 97.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.627 1.204 . . . . 0.0 109.219 -179.804 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' N ' HD23 ' A' ' 63' ' ' LEU . 1.7 mm-40 -68.6 -33.35 73.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' ARG . 18.6 mt-10 -71.17 -40.73 71.09 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -63.69 -50.4 69.35 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.385 1.053 . . . . 0.0 110.474 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 26' ' ' VAL . 80.5 mt -42.98 -27.9 0.22 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.486 1.116 . . . . 0.0 109.396 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.631 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.45 65.42 0.3 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.754 1.284 . . . . 0.0 110.958 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 40.5 mtm180 -54.0 -43.92 97.51 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.454 0.737 . . . . 0.0 110.35 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.8 Cg_endo -74.78 62.09 5.6 Favored 'Trans proline' 0 C--N 1.357 1.007 0 O-C-N 124.429 1.752 . . . . 0.0 111.155 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CZ ' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.03 -174.63 4.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.409 1.068 . . . . 0.0 111.079 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -170.6 -169.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.227 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -41.94 -70.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.631 1.207 . . . . 0.0 110.95 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 73' ' ' MET . 0.8 OUTLIER -36.32 -52.49 0.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.743 1.277 . . . . 0.0 110.243 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -41.15 95.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.728 HD11 ' CZ ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -52.98 -52.56 57.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.526 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -14.52 62.99 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.606 1.191 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.556 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -88.47 -58.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.523 1.139 . . . . 0.0 109.435 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.556 ' N ' HG22 ' A' ' 78' ' ' ILE . 2.5 m-80 -70.16 77.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.258 0.974 . . . . 0.0 109.23 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.863 ' O ' HD23 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -164.53 166.64 20.19 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.562 1.163 . . . . 0.0 109.222 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.47 -73.12 0.67 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.093 . . . . 0.0 109.393 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.13 -168.84 3.19 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.685 1.241 . . . . 0.0 110.018 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.698 ' CE1' HG22 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -178.49 106.83 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.57 1.169 . . . . 0.0 111.225 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.658 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -53.44 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.514 1.134 . . . . 0.0 109.204 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.404 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -67.95 -167.06 3.77 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.422 1.076 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . 4.5 mt-30 -93.7 174.99 6.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.662 0.86 . . . . 0.0 110.253 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.698 HG22 ' CE1' ' A' ' 83' ' ' PHE . 18.1 pt -135.93 147.39 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.195 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -141.75 159.95 41.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.482 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.95 140.5 22.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.601 1.188 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -108.98 -168.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.0 pt-20 -30.23 -59.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.644 1.215 . . . . 0.0 110.253 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -148.23 61.04 1.11 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.72 1.263 . . . . 0.0 109.221 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.482 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.8 pt20 -161.16 162.94 31.52 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.423 1.077 . . . . 0.0 110.238 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -137.36 119.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 109.478 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.59 140.63 52.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 94' ' ' ILE . 17.4 m-85 -107.36 157.75 17.71 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 40.7 p90 -165.98 124.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.347 1.029 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 11' ' ' ASN . 1.1 t80 -78.69 -10.75 59.87 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.573 1.171 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.66 141.01 49.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.724 1.265 . . . . 0.0 109.344 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.463 ' HE3' ' CE1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -87.72 -88.44 0.14 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.352 1.033 . . . . 0.0 109.444 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 t -49.63 -26.99 4.09 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.405 1.065 . . . . 0.0 110.516 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 C--N 1.327 -0.394 0 O-C-N 124.455 1.097 . . . . 0.0 110.95 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 m -159.44 139.69 12.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.068 . . . . 0.0 110.455 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 159.08 2.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.115 . . . . 0.0 109.429 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.94 166.89 10.49 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.56 1.163 . . . . 0.0 109.149 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.7 t0 179.3 151.88 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.321 1.013 . . . . 0.0 109.318 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -148.67 122.64 9.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.66 1.225 . . . . 0.0 110.253 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -170.57 44.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.351 1.032 . . . . 0.0 109.321 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 9' ' ' HIS . 0.1 OUTLIER -111.74 166.98 10.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.069 . . . . 0.0 109.178 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.462 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 8.3 t-80 84.01 70.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.485 1.115 . . . . 0.0 109.697 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' HIS . 28.9 m-20 61.93 133.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -171.06 -88.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.741 1.276 . . . . 0.0 109.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -156.59 128.1 7.11 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.404 1.065 . . . . 0.0 109.418 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.987 HG23 ' HB3' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -101.65 141.63 17.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.608 1.192 . . . . 0.0 109.412 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.88 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -133.08 86.98 0.27 Allowed Glycine 0 CA--C 1.527 0.842 0 O-C-N 124.476 1.11 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.682 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.2 Cg_endo -74.94 127.33 10.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.306 1.688 . . . . 0.0 110.932 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 15' ' ' PRO . 6.3 mm -118.4 117.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.9 pt -137.82 168.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 124.637 1.211 . . . . 0.0 109.32 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -54.29 179.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.577 1.173 . . . . 0.0 110.563 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -117.93 172.01 7.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 109.389 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.17 -100.7 0.2 Allowed Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.582 1.176 . . . . 0.0 110.78 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.85 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.594 HD23 ' HG2' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -89.77 15.41 9.76 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.504 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.1 t -80.37 -9.99 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.391 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.518 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.5 mt-10 -75.42 -57.65 1.61 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.594 ' HG2' HD23 ' A' ' 22' ' ' LEU . 18.8 Cg_endo -75.11 -15.14 20.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.985 HG13 HD21 ' A' ' 63' ' ' LEU . 3.5 t -84.86 -47.74 16.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.581 1.176 . . . . 0.0 109.512 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' VAL . 9.8 tp -64.3 -41.62 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.668 1.23 . . . . 0.0 109.337 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.619 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -60.29 -44.87 95.0 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.321 1.013 . . . . 0.0 110.327 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -69.99 -34.57 73.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.28 73.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -70.56 -48.94 52.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.593 1.183 . . . . 0.0 110.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.2 pt -68.01 -10.65 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.332 1.02 . . . . 0.0 109.086 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -87.25 -10.1 53.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.561 1.163 . . . . 0.0 109.23 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -126.77 155.99 74.36 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.552 1.157 . . . . 0.0 109.167 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -1.99 11.95 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.43 52.99 4.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.103 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 63.05 0.21 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.508 0.77 . . . . 0.0 109.347 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -178.91 56.05 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 52' ' ' ALA . 20.7 mm -113.53 153.16 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.6 m -114.64 112.69 23.28 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.662 1.226 . . . . 0.0 110.401 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 50' ' ' ILE . 41.0 t -99.66 149.89 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.64 1.212 . . . . 0.0 109.126 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -137.71 92.24 2.66 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.621 1.2 . . . . 0.0 110.264 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -90.56 109.15 20.31 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.455 1.097 . . . . 0.0 109.416 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -71.98 0.47 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.332 1.02 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 168.51 -45.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.199 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.28 -33.84 25.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.445 1.091 . . . . 0.0 109.397 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -144.16 168.9 18.94 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.714 1.259 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 19' ' ' ALA . 71.5 t -122.17 128.65 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.12 145.7 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.525 HG23 HG22 ' A' ' 41' ' ' VAL . 7.7 mt -125.47 170.42 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.189 . . . . 0.0 109.098 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.525 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -138.48 99.41 3.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.987 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -100.37 169.31 9.19 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.609 1.193 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -46.7 46.68 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.339 1.024 . . . . 0.0 110.188 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.49 -74.51 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.248 0.967 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.445 ' O ' HD23 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -93.82 115.61 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 0.749 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.803 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 20.5 mt -147.87 -176.66 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.513 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -148.2 159.29 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.435 1.085 . . . . 0.0 109.429 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 57' ' ' ILE . 19.2 mt -144.21 131.36 20.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.61 1.194 . . . . 0.0 109.335 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.5 p -124.6 25.43 7.54 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.369 1.043 . . . . 0.0 110.395 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.552 ' HD3' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -88.52 29.7 0.97 Allowed 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.189 -179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -29.04 66.29 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.9 t -70.75 -44.58 66.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.825 1.328 . . . . 0.0 110.482 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.985 HD21 HG13 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -66.54 -38.58 87.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -21.75 51.36 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.9 -38.45 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.683 1.239 . . . . 0.0 110.409 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.409 ' C ' ' N ' ' A' ' 68' ' ' GLY . 0.3 OUTLIER -71.15 -47.05 60.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.206 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.533 HD11 HG21 ' A' ' 26' ' ' VAL . 31.4 mt -43.66 -27.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.325 1.015 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.69 64.93 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.298 0.998 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.62 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 11.1 mtt180 -50.54 -44.27 82.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.499 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.7 Cg_endo -74.94 63.03 5.91 Favored 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.552 1.817 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.84 ' HE2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.5 -155.02 0.41 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.386 1.054 . . . . 0.0 110.976 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.89 -177.29 6.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 109.519 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.411 ' O ' ' OE1' ' A' ' 77' ' ' GLU . 2.7 mtt -90.27 -41.12 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.351 1.032 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 5.3 tt0 -53.72 -23.09 10.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.614 1.196 . . . . 0.0 110.247 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 2.1 pt-20 -86.03 -10.05 55.7 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.61 1.194 . . . . 0.0 110.177 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.84 HD21 ' HE2' ' A' ' 71' ' ' PHE . 89.8 mt -78.39 -53.46 7.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.437 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.668 ' O ' HD23 ' A' ' 80' ' ' LEU . 1.1 pm0 -50.45 -65.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.318 1.011 . . . . 0.0 110.304 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.418 ' H ' HG23 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -50.26 -22.58 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 1.2 m-80 -87.96 67.74 9.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 77' ' ' GLU . 4.0 pp -141.07 150.25 42.69 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.381 1.051 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.09 -44.98 5.3 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.382 1.051 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.07 178.27 2.98 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.334 1.021 . . . . 0.0 109.827 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -158.94 176.96 11.66 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.88 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -141.72 19.31 2.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.1 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.64 -165.03 25.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.627 1.205 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -102.79 152.19 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.553 0.796 . . . . 0.0 110.133 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.71 ' O ' HD12 ' A' ' 87' ' ' ILE . 1.2 pp -143.21 130.62 18.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.129 . . . . 0.0 109.499 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -129.67 163.19 26.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.376 1.048 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.31 147.49 46.95 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -112.45 -175.47 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -29.28 -52.99 0.12 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 124.38 1.05 . . . . 0.0 110.364 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -155.9 66.25 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -176.4 169.8 2.62 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.529 HD11 ' HE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -132.11 129.17 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.683 1.239 . . . . 0.0 109.371 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.79 167.15 11.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.629 1.206 . . . . 0.0 110.456 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CD2' HG22 ' A' ' 87' ' ' ILE . 4.2 m-85 -137.68 142.35 41.1 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.552 1.157 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 2.9 p90 -160.5 104.85 1.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.311 1.007 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.732 ' HB2' HG13 ' A' ' 13' ' ' VAL . 6.2 t80 -45.94 -32.34 2.66 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.576 1.172 . . . . 0.0 111.171 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.57 140.21 6.25 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.522 1.139 . . . . 0.0 109.442 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.22 -72.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.623 1.202 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 101' ' ' THR . 9.8 t -83.19 102.89 12.19 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.322 1.014 . . . . 0.0 110.203 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.7 ptm . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 111.068 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.2 t -164.91 138.48 4.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 124.419 1.075 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.66 160.88 30.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.647 1.217 . . . . 0.0 109.443 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.47 145.08 52.98 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.236 0.96 . . . . 0.0 109.218 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.51 110.19 22.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 5.1 pt20 -94.29 158.68 15.47 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 124.502 1.126 . . . . 0.0 110.199 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . 167.94 101.26 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.442 1.089 . . . . 0.0 109.217 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 1.4 mm? -63.07 148.72 47.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.349 1.03 . . . . 0.0 109.238 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 175.83 112.23 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.541 1.151 . . . . 0.0 109.568 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.599 ' HA ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 m120 55.87 76.38 0.28 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.664 1.227 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -134.75 -75.75 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.341 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -149.46 144.52 26.38 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.058 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 2.6 m -90.52 132.13 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 O-C-N 124.256 0.973 . . . . 0.0 109.209 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.816 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -132.72 80.17 0.33 Allowed Glycine 0 CA--C 1.528 0.851 0 O-C-N 124.593 1.183 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.729 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.2 Cg_endo -75.14 132.85 15.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.38 1.726 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 15' ' ' PRO . 13.1 mm -122.63 85.68 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.427 1.08 . . . . 0.0 109.351 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.8 pt -105.64 173.75 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 O-C-N 124.389 1.056 . . . . 0.0 109.259 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.95 172.04 12.35 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.67 149.78 23.79 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.707 1.254 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.96 -95.99 0.52 Allowed Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -179.05 149.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.577 0.81 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 5.7 mp 67.09 18.01 10.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 109.1 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.484 HG11 HG21 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -78.17 -13.74 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -73.75 -58.65 2.12 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 110.117 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.5 Cg_endo -75.0 -10.83 21.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.416 1.745 . . . . 0.0 111.004 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.815 HG13 HD21 ' A' ' 63' ' ' LEU . 9.4 t -89.15 -43.36 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 O-C-N 124.314 1.009 . . . . 0.0 109.423 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.746 HD11 HD13 ' A' ' 50' ' ' ILE . 5.2 tp -66.82 -32.92 60.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.578 1.174 . . . . 0.0 109.36 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.92 -46.4 62.56 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.396 1.06 . . . . 0.0 110.359 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m -69.94 -29.99 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.355 1.034 . . . . 0.0 110.406 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.63 -19.58 59.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.204 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' ASN . 74.1 mt-10 -82.82 -45.24 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.07 . . . . 0.0 110.351 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 28' ' ' GLU . 5.9 pt -62.22 -28.02 43.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.635 1.209 . . . . 0.0 109.352 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -54.68 -37.91 66.33 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.402 1.064 . . . . 0.0 109.326 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -114.8 158.77 39.65 Favored Pre-proline 0 C--N 1.329 -0.326 0 O-C-N 124.63 1.206 . . . . 0.0 109.162 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 44.21 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.541 1.811 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 34' ' ' ASN . . . -95.77 59.08 1.52 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.358 1.036 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 54.41 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.562 0.801 . . . . 0.0 109.199 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.22 49.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.68 1.237 . . . . 0.0 110.194 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.7 mt -116.49 130.91 70.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 124.746 1.279 . . . . 0.0 109.24 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.6 m -103.14 126.62 50.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.627 1.204 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.899 HG22 HG23 ' A' ' 50' ' ' ILE . 39.5 t -116.37 145.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.253 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.0 96.38 3.63 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.04 107.7 19.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -82.96 -73.13 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.427 1.079 . . . . 0.0 110.169 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.01 -47.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 110.228 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.46 -27.67 29.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -149.3 163.34 37.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.484 HG21 HG11 ' A' ' 23' ' ' VAL . 10.2 t -122.07 125.09 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -120.62 149.0 43.15 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.604 1.19 . . . . 0.0 110.208 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.899 HG23 HG22 ' A' ' 41' ' ' VAL . 7.7 mt -130.32 169.41 21.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.554 1.159 . . . . 0.0 109.372 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.5 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -144.71 93.18 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.058 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . . . -100.24 177.23 5.12 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.271 0.982 . . . . 0.0 109.374 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.74 -37.65 73.47 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.53 1.144 . . . . 0.0 110.488 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.733 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . 136.54 -56.08 0.7 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.77 97.08 10.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.578 0.81 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.995 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 9.1 mt -144.96 175.4 10.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.721 1.263 . . . . 0.0 109.423 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.438 HG23 ' C ' ' A' ' 56' ' ' LEU . 1.7 pp -152.84 143.16 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 94' ' ' ILE . 3.3 mt -127.44 144.56 51.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.9 p -137.8 11.75 2.91 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 110.546 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.64 46.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.208 . . . . 0.0 110.312 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -20.1 65.08 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.331 1.019 . . . . 0.0 109.381 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -43.78 59.84 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.718 1.261 . . . . 0.0 110.292 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.815 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.74 -38.09 88.15 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.2 mt-10 -75.06 -36.46 61.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.669 1.231 . . . . 0.0 110.368 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -69.06 -39.69 78.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.102 . . . . 0.0 110.43 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.486 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.6 mm-40 -63.59 -50.85 67.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.73 HD21 HG21 ' A' ' 26' ' ' VAL . 14.7 mt -44.49 -26.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.78 65.02 0.32 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.23 0.957 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.3 mtt180 -55.38 -42.86 98.17 Favored Pre-proline 0 N--CA 1.451 -0.393 0 O-C-N 124.467 0.746 . . . . 0.0 110.315 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.1 Cg_endo -75.06 62.86 5.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.562 1.822 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.25 -157.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 111.063 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.579 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.79 161.1 31.95 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.669 1.231 . . . . 0.0 109.238 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -61.55 -27.95 68.98 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.745 1.278 . . . . 0.0 110.997 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 78' ' ' ILE . 4.3 tt0 -56.26 -31.71 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.418 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.15 -20.1 60.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.69 -52.96 17.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.437 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' HD21 ' A' ' 80' ' ' LEU . 14.3 tt0 -48.85 -29.0 4.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.244 0.965 . . . . 0.0 110.196 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.669 ' O ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -90.33 -37.17 9.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.479 1.112 . . . . 0.0 109.385 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -73.92 70.3 1.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.572 1.17 . . . . 0.0 109.407 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 80' ' ' LEU . 2.4 pp -161.23 105.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 109.146 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -67.95 -50.93 53.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.419 1.074 . . . . 0.0 109.413 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -162.34 -164.58 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.368 1.043 . . . . 0.0 109.96 -179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' A' ' 82' ' ' SER . 29.4 m-85 -166.76 -173.03 2.28 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.281 0.988 . . . . 0.0 110.82 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.816 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -129.87 -45.48 1.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.203 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.72 -147.26 9.33 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.634 1.208 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -105.58 166.17 10.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.353 0.678 . . . . 0.0 110.396 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.841 HD13 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -152.06 135.88 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.633 1.208 . . . . 0.0 109.245 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.841 ' N ' HD13 ' A' ' 87' ' ' ILE . 15.6 mm-40 -135.01 162.92 31.09 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.3 153.69 51.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.205 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 4.3 t70 -118.23 -175.58 2.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.3 pp20? -33.63 -48.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.196 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -154.82 60.4 0.67 Allowed 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.48 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.7 pt20 -164.09 165.77 21.99 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 124.609 1.193 . . . . 0.0 110.245 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.659 HG13 HD11 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -139.82 114.63 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 O-C-N 124.605 1.191 . . . . 0.0 109.198 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.497 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -105.82 155.73 19.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.414 1.071 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -123.98 147.94 47.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 110.957 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.497 ' CE2' ' HB2' ' A' ' 95' ' ' ARG . 34.2 m-85 -146.96 131.79 18.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.368 1.042 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD2' ' HA3' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -79.99 17.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.598 1.186 . . . . 0.0 110.98 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.2 89.19 4.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.249 0.968 . . . . 0.0 109.162 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -159.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.391 1.057 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 t -40.11 152.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.2 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 m -129.44 138.36 51.4 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.444 1.09 . . . . 0.0 110.614 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.92 163.23 12.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.731 1.27 . . . . 0.0 109.273 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.21 123.44 32.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.02 125.22 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.74 1.275 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -59.99 94.84 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.444 1.09 . . . . 0.0 110.129 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.16 85.69 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.378 1.049 . . . . 0.0 109.205 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -88.48 51.06 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.657 1.223 . . . . 0.0 109.386 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.574 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 1.9 t-160 88.42 -145.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.754 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.581 ' HA ' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER 88.77 108.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 179.74 -69.95 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -167.34 150.19 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.647 1.217 . . . . 0.0 109.286 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.053 HG23 ' HB3' ' A' ' 52' ' ' ALA . 3.7 m -129.81 -174.19 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.202 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -167.93 98.98 0.15 Allowed Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.414 1.071 . . . . 0.0 111.06 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.473 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 17.8 Cg_endo -75.04 110.95 3.21 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.411 1.743 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 17' ' ' ILE . 4.0 mm -99.45 141.76 16.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.657 1.223 . . . . 0.0 109.339 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 16' ' ' ILE . 23.0 pt -158.16 -179.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.402 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HD3' ' CB ' ' A' ' 79' ' ' ASN . 10.7 ptm180 -86.68 163.19 17.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.576 1.172 . . . . 0.0 110.402 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.72 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -81.36 158.96 24.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.22 -91.67 0.21 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.519 1.137 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -179.42 134.89 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.409 0.711 . . . . 0.0 109.213 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER 65.25 19.57 11.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 27' ' ' ILE . 1.6 t -79.1 -10.53 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.176 . . . . 0.0 109.266 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.1 mt-10 -77.98 -58.09 0.9 Allowed Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.574 1.171 . . . . 0.0 110.242 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.9 Cg_endo -74.92 -11.31 21.63 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.433 1.754 . . . . 0.0 111.042 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.902 HG13 HD11 ' A' ' 63' ' ' LEU . 21.3 t -90.21 -45.89 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.535 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 23' ' ' VAL . 5.3 tp -66.55 -32.3 57.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.66 1.225 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -73.52 -42.34 61.88 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.549 1.156 . . . . 0.0 110.228 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.6 m -74.39 -26.23 59.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.708 1.255 . . . . 0.0 110.298 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.27 -21.91 49.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.157 . . . . 0.0 109.49 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' OE2' ' CG2' ' A' ' 41' ' ' VAL . 29.4 mt-10 -79.11 -43.26 24.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 28' ' ' GLU . 8.8 pt -62.74 -35.95 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.341 1.026 . . . . 0.0 109.445 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.46 -39.98 64.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 124.282 0.989 . . . . 0.0 109.311 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -101.81 156.9 34.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.42 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 52.32 2.98 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.45 1.763 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.4 60.12 1.57 Allowed Glycine 0 CA--C 1.532 1.135 0 O-C-N 124.514 1.134 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 49.41 1.63 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.492 0.76 . . . . 0.0 109.18 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 179.32 47.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.685 1.241 . . . . 0.0 110.216 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.29 153.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.561 1.163 . . . . 0.0 109.411 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.4 m -128.68 123.99 34.55 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.557 1.161 . . . . 0.0 110.425 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.416 ' CG2' ' OE2' ' A' ' 31' ' ' GLU . 47.4 t -99.27 152.25 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -143.64 78.26 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.19 108.17 17.59 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.775 1.297 . . . . 0.0 109.243 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -80.49 -67.48 0.77 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 164.74 -48.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.183 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.1 -30.86 39.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.49 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -142.44 168.45 19.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.72 HG23 ' HA ' ' A' ' 19' ' ' ALA . 72.1 t -117.33 125.46 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 O-C-N 124.368 1.042 . . . . 0.0 109.205 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -113.0 137.46 51.36 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.312 1.007 . . . . 0.0 110.358 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 mt -130.31 146.37 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.36 1.038 . . . . 0.0 109.279 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.0 106.81 10.23 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.75 1.281 . . . . 0.0 109.251 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.053 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -92.46 154.03 18.75 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.603 1.189 . . . . 0.0 109.153 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -14.82 62.68 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.55 ' HA2' HG22 ' A' ' 13' ' ' VAL . . . 145.67 -74.05 0.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.069 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.776 ' C ' HD22 ' A' ' 56' ' ' LEU . 6.6 pt-20 -103.87 119.54 39.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.676 0.868 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.973 HD23 ' HB1' ' A' ' 52' ' ' ALA . 3.7 mm? -136.04 166.38 23.49 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.444 1.09 . . . . 0.0 109.147 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.426 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -150.37 138.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.529 ' HB2' HG23 ' A' ' 94' ' ' ILE . 1.1 mt -133.74 146.49 50.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.628 1.205 . . . . 0.0 109.386 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.4 p -143.11 14.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.256 0.972 . . . . 0.0 110.618 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.91 47.44 1.4 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.63 1.206 . . . . 0.0 110.262 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -20.59 63.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.304 1.002 . . . . 0.0 109.253 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -47.41 67.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.441 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.902 HD11 HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.33 -36.84 82.26 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.711 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.11 -14.75 59.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.706 1.254 . . . . 0.0 110.408 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.79 -31.18 17.51 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.62 1.2 . . . . 0.0 110.424 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.43 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 mt-30 -80.11 -43.5 21.6 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.649 1.218 . . . . 0.0 110.325 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.626 HD11 HG11 ' A' ' 26' ' ' VAL . 16.3 mt -40.0 -30.91 0.1 Allowed 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.378 1.049 . . . . 0.0 109.491 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.95 65.74 0.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 110.924 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.1 mtp-105 -50.78 -44.18 84.46 Favored Pre-proline 0 C--N 1.322 -0.591 0 O-C-N 124.461 0.742 . . . . 0.0 110.263 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.8 Cg_endo -74.92 64.0 5.95 Favored 'Trans proline' 0 C--N 1.362 1.267 0 O-C-N 124.335 1.702 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.72 -154.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.574 1.171 . . . . 0.0 110.96 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.596 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.53 -169.14 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 109.152 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.4 ptm -90.3 -18.88 24.8 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.51 1.131 . . . . 0.0 110.917 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -63.34 -32.12 73.45 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.566 ' OE2' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -71.0 -25.35 62.65 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.682 1.239 . . . . 0.0 110.227 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 80' ' ' LEU . 6.0 mp -66.76 -55.34 15.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.658 1.224 . . . . 0.0 109.194 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.611 ' O ' HD22 ' A' ' 80' ' ' LEU . 16.0 tt0 -66.31 -15.38 63.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.37 1.044 . . . . 0.0 110.251 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -90.2 -49.82 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.167 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.41 ' CB ' ' HD3' ' A' ' 18' ' ' ARG . 59.0 m-20 -69.77 64.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.231 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -117.76 160.7 20.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' HB3' ' CA ' ' A' ' 17' ' ' ILE . . . -131.86 -67.7 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.368 1.042 . . . . 0.0 109.144 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.594 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -156.73 -176.91 6.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.888 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.61 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 3.6 m-85 -165.49 172.41 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -105.98 -37.86 6.51 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.415 1.072 . . . . 0.0 109.453 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.35 -108.69 1.14 Allowed Glycine 0 CA--C 1.533 1.178 0 O-C-N 124.552 1.158 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.86 175.7 10.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 0.8 . . . . 0.0 110.28 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.61 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -132.77 170.3 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.279 0.987 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -155.47 112.75 3.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.656 1.223 . . . . 0.0 110.393 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' GLN . . . -99.85 132.21 45.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 109.101 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.8 t0 -92.77 -170.5 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -36.58 -42.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.302 1.002 . . . . 0.0 110.139 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -159.28 53.18 0.39 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.708 1.255 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 5.9 mt-30 -149.6 172.55 14.85 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.625 1.203 . . . . 0.0 110.363 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' ' 58' ' ' LEU . 4.1 tt -146.07 107.91 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.374 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.32 167.45 10.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.445 ' CD1' HG22 ' A' ' 87' ' ' ILE . 20.5 m-85 -133.71 161.0 35.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.675 1.234 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.78 ' HB2' HG23 ' A' ' 101' ' ' THR . 36.6 p90 -173.54 116.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.364 1.04 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.701 ' HB3' HG13 ' A' ' 13' ' ' VAL . 3.0 p90 -40.25 -48.47 2.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.56 ' O ' ' C ' ' A' ' 100' ' ' LYS . 7.1 m-20 179.01 -85.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.46 1.1 . . . . 0.0 109.206 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -26.84 -84.98 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.727 1.267 . . . . 0.0 109.325 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.78 HG23 ' HB2' ' A' ' 97' ' ' TYR . 8.9 t -39.07 115.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.198 . . . . 0.0 110.608 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.6 mtm . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.375 1.047 . . . . 0.0 110.986 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 2' ' ' THR . 6.6 t -146.99 61.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.404 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.15 151.92 4.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.668 1.23 . . . . 0.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.11 86.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.302 1.001 . . . . 0.0 109.165 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -51.52 121.3 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -131.0 -170.45 2.36 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 56.0 56.64 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.389 1.055 . . . . 0.0 109.192 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' CB ' ' HG2' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -126.6 145.54 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.385 1.053 . . . . 0.0 109.368 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.484 ' CG ' ' N ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 170.24 -78.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.617 1.198 . . . . 0.0 109.6 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.484 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 51.9 t-20 -142.59 114.92 8.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.557 1.16 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -141.21 -89.72 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.469 1.106 . . . . 0.0 109.209 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 8.3 p-10 -161.4 152.33 18.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 53' ' ' GLU . 1.4 m -103.0 161.6 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 124.443 1.09 . . . . 0.0 109.188 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.531 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -147.87 84.96 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.189 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.629 ' O ' HD12 ' A' ' 16' ' ' ILE . 18.3 Cg_endo -75.0 120.56 6.12 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.58 1.832 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 15' ' ' PRO . 1.1 mp -114.47 116.86 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 80' ' ' LEU . 4.7 pt -139.87 177.81 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.175 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.9 165.52 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -90.14 128.69 36.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.63 1.206 . . . . 0.0 109.354 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.44 -78.34 1.33 Allowed Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.298 0.999 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -177.37 124.69 0.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.625 0.838 . . . . 0.0 109.492 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER 66.55 16.92 10.54 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.69 HG11 HG21 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -79.47 -13.85 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 124.352 1.032 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.526 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -72.97 -58.54 2.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.664 1.227 . . . . 0.0 110.134 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.526 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.7 Cg_endo -74.9 -12.34 21.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.087 HG13 HD11 ' A' ' 63' ' ' LEU . 6.3 t -87.03 -42.72 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.467 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.785 ' CG1' HD11 ' A' ' 50' ' ' ILE . 7.0 tp -67.98 -39.89 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.895 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -65.21 -42.17 93.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 110.216 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -74.66 -29.78 61.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.06 -16.12 58.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.642 1.214 . . . . 0.0 109.449 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.49 -39.28 12.69 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.895 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.4 pp -68.98 -25.26 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 109.193 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.93 -31.47 59.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 35.4 t30 -106.72 109.73 63.29 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.703 1.252 . . . . 0.0 109.103 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 17.9 Cg_endo -75.0 -161.53 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.66 -1.11 39.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.606 1.191 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -104.29 132.27 50.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.398 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.773 ' C ' HD12 ' A' ' 39' ' ' ILE . 13.9 pt-20 -168.59 58.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.773 HD12 ' C ' ' A' ' 38' ' ' GLU . 2.0 mp -125.33 -90.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.747 ' N ' HG22 ' A' ' 39' ' ' ILE . 14.9 t -169.27 167.57 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.344 1.027 . . . . 0.0 110.204 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.89 HG22 HG23 ' A' ' 50' ' ' ILE . 3.6 t -139.24 148.44 23.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 O-C-N 124.512 1.132 . . . . 0.0 109.204 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -115.59 70.14 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.647 1.217 . . . . 0.0 110.145 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.447 ' OD1' ' CG1' ' A' ' 41' ' ' VAL . 44.2 m-20 -95.41 80.34 3.5 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 9.1 tpt85 -80.42 -66.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER 162.79 -49.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.759 1.287 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.87 95.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -133.22 171.18 14.37 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.378 1.049 . . . . 0.0 111.136 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.69 HG21 HG11 ' A' ' 23' ' ' VAL . 39.1 t -124.75 116.16 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 124.593 1.183 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.603 ' HG3' HD11 ' A' ' 16' ' ' ILE . 19.0 ttt180 -129.27 145.78 51.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.317 1.011 . . . . 0.0 110.345 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.89 HG23 HG22 ' A' ' 41' ' ' VAL . 58.4 mt -138.29 160.39 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.132 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -148.81 132.81 17.18 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.618 1.199 . . . . 0.0 109.26 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.754 ' HA ' HD13 ' A' ' 39' ' ' ILE . . . -176.62 174.14 1.9 Allowed 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -41.94 163.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.7 49.02 1.83 Allowed Glycine 0 CA--C 1.527 0.817 0 O-C-N 124.627 1.205 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -162.49 63.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.368 0.687 . . . . 0.0 110.397 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -103.3 168.73 8.98 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.591 1.182 . . . . 0.0 109.311 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 56' ' ' LEU . 2.2 pp -151.13 135.27 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.653 1.221 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.11 129.97 45.88 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.634 1.209 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.3 p -122.73 10.38 9.63 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.539 1.15 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -87.87 33.86 0.72 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -19.16 13.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.442 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 63' ' ' LEU . 11.1 t -69.84 -49.0 56.81 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.087 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.36 -38.39 89.93 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.557 1.161 . . . . 0.0 109.206 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.948 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -73.45 -26.04 60.76 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 124.367 1.042 . . . . 0.0 110.43 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.8 -38.8 45.76 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 68' ' ' GLY . 1.2 mm-40 -68.06 -47.76 67.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 110.115 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.809 HD11 HG11 ' A' ' 26' ' ' VAL . 56.3 mt -42.14 -28.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.19 65.33 0.31 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.622 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 8.0 mtt180 -50.35 -44.2 81.13 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.605 0.827 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.91 62.26 5.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.612 1.848 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.04 178.04 10.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.407 1.067 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' GLU . 0.9 OUTLIER -170.6 -168.8 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.238 0.961 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ASN . 5.6 ptt? -36.11 -55.95 0.76 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.296 0.998 . . . . 0.0 110.946 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -43.82 -45.13 7.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 110.21 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ASN . 2.3 mm-40 -75.09 -37.59 61.48 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.331 1.019 . . . . 0.0 110.097 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 71' ' ' PHE . 55.5 mt -57.91 -42.88 85.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.464 ' O ' HD11 ' A' ' 80' ' ' LEU . 15.1 tt0 -78.26 -13.27 59.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.064 . . . . 0.0 110.238 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -47.61 14.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.35 60.38 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.721 1.263 . . . . 0.0 109.37 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.696 ' HA ' HG22 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -151.94 162.52 40.93 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.162 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.442 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -134.97 -57.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.585 1.178 . . . . 0.0 109.246 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.546 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -151.79 -175.97 5.44 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.492 1.12 . . . . 0.0 109.913 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 82' ' ' SER . 85.1 m-85 -162.84 -174.59 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.397 1.06 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -126.68 -44.07 1.69 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -119.26 -139.43 5.99 Favored Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.377 1.048 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -116.25 172.41 7.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 0.732 . . . . 0.0 110.175 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.953 HD12 ' CE2' ' A' ' 96' ' ' PHE . 11.5 tt -143.5 151.35 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.424 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -141.32 158.16 44.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.143 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.2 138.31 43.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.326 1.016 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 0.6 OUTLIER -108.53 -174.4 2.51 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.6 pt-20 -31.37 -55.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -149.71 62.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.271 0.982 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.49 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 1.2 pp0? -168.05 164.03 13.57 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.558 1.161 . . . . 0.0 110.398 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.716 HD11 HD11 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -143.56 118.52 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.19 163.85 13.48 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.953 ' CE2' HD12 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -133.58 146.16 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.742 1.276 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 54.2 p90 -159.76 152.92 21.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.59 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 83.2 t80 -115.95 71.88 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -131.17 112.79 13.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.184 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.436 ' HG2' ' CB ' ' A' ' 8' ' ' LEU . 1.2 pttp -55.01 -169.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.287 0.992 . . . . 0.0 109.312 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' LYS . 2.8 t -36.15 135.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.395 1.06 . . . . 0.0 110.463 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.371 1.044 . . . . 0.0 110.95 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 m 60.62 114.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.342 1.026 . . . . 0.0 110.252 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -171.84 85.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.201 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -176.27 150.17 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.622 1.201 . . . . 0.0 109.232 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.84 129.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -160.29 168.74 24.66 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.04 95.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.83 1.331 . . . . 0.0 109.044 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.675 HD23 ' HB2' ' A' ' 100' ' ' LYS . 4.1 mt -139.59 78.84 1.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.442 1.089 . . . . 0.0 109.057 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 52.7 t-80 -177.12 144.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.525 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' NE2' ' A' ' 9' ' ' HIS . 7.2 p30 -42.77 141.12 1.14 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.397 1.06 . . . . 0.0 109.408 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -132.15 -87.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.072 . . . . 0.0 109.496 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -153.91 127.11 8.45 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.589 1.181 . . . . 0.0 109.217 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.724 HG12 ' HA3' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -108.05 163.83 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.375 1.047 . . . . 0.0 109.244 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.684 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -158.5 83.99 0.13 Allowed Glycine 0 CA--C 1.527 0.8 0 O-C-N 124.624 1.202 . . . . 0.0 110.992 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.561 ' O ' HD12 ' A' ' 16' ' ' ILE . 18.8 Cg_endo -74.96 129.15 12.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.341 1.706 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.597 HG22 ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -111.06 109.93 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.591 1.182 . . . . 0.0 109.48 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -119.64 167.61 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.367 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 158.46 32.56 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.673 1.233 . . . . 0.0 110.256 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.406 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -90.27 107.67 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.397 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.99 -92.05 0.43 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 0.0 111.174 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.57 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.676 0.868 . . . . 0.0 109.137 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -106.65 18.9 21.27 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.577 1.173 . . . . 0.0 109.151 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.723 HG11 HG21 ' A' ' 48' ' ' VAL . 1.4 t -77.55 -10.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 124.627 1.204 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.55 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.3 OUTLIER -76.71 -59.32 0.99 Allowed Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.396 1.06 . . . . 0.0 110.178 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.55 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -74.88 -10.49 21.43 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.639 1.863 . . . . 0.0 110.938 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.942 HG11 HD11 ' A' ' 67' ' ' LEU . 16.4 t -89.92 -43.31 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.376 1.048 . . . . 0.0 109.188 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 23' ' ' VAL . 3.8 tp -70.64 -34.36 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.64 -42.74 70.43 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.686 1.241 . . . . 0.0 110.238 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 m -77.73 -26.37 49.97 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.462 1.101 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -79.63 -22.36 43.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -84.25 -42.61 15.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.665 1.228 . . . . 0.0 110.426 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.5 pp -65.22 -30.0 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.437 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -36.34 84.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.91 165.85 13.22 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.9 55.81 4.0 Favored 'Trans proline' 0 C--N 1.358 1.046 0 O-C-N 124.623 1.854 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.74 58.49 1.84 Allowed Glycine 0 CA--C 1.527 0.793 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 31.59 1.36 Allowed 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 124.323 0.661 . . . . 0.0 109.297 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 38' ' ' GLU . 3.2 pt-20 -178.31 59.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.222 0.951 . . . . 0.0 110.268 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 40' ' ' THR . 41.9 mm -120.64 165.16 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.357 1.036 . . . . 0.0 109.432 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.492 ' N ' HG22 ' A' ' 39' ' ' ILE . 6.2 m -131.27 113.48 13.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.333 1.021 . . . . 0.0 110.305 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.38 144.99 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.176 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.42 82.08 2.0 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.687 1.242 . . . . 0.0 110.254 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.77 98.03 9.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.625 1.203 . . . . 0.0 109.331 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -79.98 -76.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.313 1.008 . . . . 0.0 110.36 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.01 -46.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.108 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' CD1' ' A' ' 47' ' ' TYR . . . -76.98 -33.38 57.63 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 33.7 m-85 -145.96 177.94 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.723 HG21 HG11 ' A' ' 23' ' ' VAL . 38.5 t -120.07 128.48 75.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.703 1.252 . . . . 0.0 109.378 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 7.4 ttt180 -123.63 156.09 36.49 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.478 1.111 . . . . 0.0 110.205 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.468 HG22 ' H ' ' A' ' 51' ' ' ALA . 7.7 mt -141.15 168.51 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.468 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -148.71 116.47 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.32 1.013 . . . . 0.0 109.333 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -123.32 -174.5 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.302 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.03 -33.91 24.4 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.92 40.48 0.34 Allowed Glycine 0 CA--C 1.527 0.819 0 O-C-N 124.457 1.098 . . . . 0.0 111.25 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 55' ' ' GLU . 4.2 pt-20 -178.03 110.78 0.07 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.33 0.665 . . . . 0.0 110.293 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.542 HD11 ' CB ' ' A' ' 52' ' ' ALA . 16.9 mt -146.95 167.74 23.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 109.215 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.49 123.96 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.353 1.033 . . . . 0.0 109.555 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.08 123.78 43.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 0.0 109.247 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.1 p -119.64 6.38 11.02 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.628 1.205 . . . . 0.0 110.438 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.52 46.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.179 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -21.73 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.269 0.981 . . . . 0.0 109.416 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 63' ' ' LEU . 8.8 t -70.38 -51.91 26.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.698 1.249 . . . . 0.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.772 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -67.89 -29.11 68.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.694 1.246 . . . . 0.0 109.166 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.618 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.7 mt-10 -80.11 -24.07 40.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.15 -35.26 31.72 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.562 1.164 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -70.96 -46.19 62.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.346 1.029 . . . . 0.0 110.234 179.845 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.942 HD11 HG11 ' A' ' 26' ' ' VAL . 21.5 mt -40.78 -31.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.66 65.3 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.623 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 22.2 mtp180 -51.81 -44.05 89.97 Favored Pre-proline 0 C--N 1.322 -0.618 0 O-C-N 124.525 0.78 . . . . 0.0 110.347 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.0 64.64 6.06 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.414 1.744 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.971 ' CE2' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.88 -169.99 2.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.827 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -171.39 -175.52 1.65 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.311 1.007 . . . . 0.0 109.34 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.491 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -49.34 -75.1 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.324 1.015 . . . . 0.0 111.122 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.477 ' HB2' ' CE ' ' A' ' 73' ' ' MET . 1.9 tt0 -38.44 -52.98 1.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.523 1.14 . . . . 0.0 110.49 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -62.28 -39.19 92.12 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.634 1.209 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.971 HD11 ' CE2' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -52.31 -52.96 50.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 124.361 1.038 . . . . 0.0 109.362 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.63 ' O ' HD21 ' A' ' 80' ' ' LEU . 6.9 tt0 -63.11 -15.9 58.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.183 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -90.56 -38.55 10.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.36 1.038 . . . . 0.0 109.316 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -79.29 66.25 4.69 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.581 1.176 . . . . 0.0 109.247 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.63 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -146.09 166.58 25.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.622 1.201 . . . . 0.0 109.287 179.723 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.597 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -118.3 -54.1 2.31 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.594 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -170.74 179.53 3.19 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 82' ' ' SER . 42.2 m-85 -164.92 152.85 11.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.635 1.21 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.684 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -108.08 -21.91 12.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.724 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -119.78 -160.2 11.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -111.86 168.85 9.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.594 0.82 . . . . 0.0 110.369 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.533 HG22 ' CD2' ' A' ' 96' ' ' PHE . 1.8 pt -149.8 151.06 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 109.181 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 89' ' ' ALA . 2.3 tt0 -148.34 138.46 22.52 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.329 1.018 . . . . 0.0 110.179 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 88' ' ' GLN . . . -110.46 149.08 30.81 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.258 0.974 . . . . 0.0 109.145 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -120.41 -173.63 2.61 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.398 1.061 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.1 pt-20 -29.72 -61.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 92' ' ' ASP . 9.6 p-10 -146.97 60.86 1.19 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.699 1.25 . . . . 0.0 109.434 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 4.9 pt20 -173.44 179.16 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.353 1.033 . . . . 0.0 110.249 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.51 HD11 ' HE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -160.83 126.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 0.0 109.192 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.21 137.1 54.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.533 ' CD2' HG22 ' A' ' 87' ' ' ILE . 4.1 m-85 -95.37 156.74 16.19 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -176.84 150.44 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.71 1.256 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.537 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -104.91 -20.77 13.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.71 117.88 2.03 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.675 ' HB2' HD23 ' A' ' 8' ' ' LEU . 1.1 mptp? -51.67 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.633 1.208 . . . . 0.0 109.468 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 t -76.58 131.78 39.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.29 0.993 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 O-C-N 124.593 1.183 . . . . 0.0 111.231 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 t -141.38 44.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.443 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -159.72 178.83 9.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.397 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.47 174.7 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.292 0.995 . . . . 0.0 109.389 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -149.58 171.24 16.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.393 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.8 -166.66 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.98 74.95 0.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.371 1.044 . . . . 0.0 109.27 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' ASN . 2.4 pp -173.91 -166.67 0.31 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.624 1.202 . . . . 0.0 109.195 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.693 ' CE1' ' ND2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER 68.7 -60.56 0.44 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.497 1.123 . . . . 0.0 109.697 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.693 ' ND2' ' CE1' ' A' ' 9' ' ' HIS . 5.2 p-10 -163.39 51.99 0.16 Allowed 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 124.558 1.162 . . . . 0.0 109.345 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.69 -63.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.403 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -162.04 176.22 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.096 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 2.0 m -106.14 132.49 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.421 1.076 . . . . 0.0 109.269 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.563 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -136.07 73.22 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.1 Cg_endo -75.13 132.39 15.2 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.648 1.868 . . . . 0.0 110.796 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 15' ' ' PRO . 4.5 mm -123.15 139.23 50.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.372 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 pt -150.87 161.96 3.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 8.4 ptm180 -99.35 51.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.419 1.074 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.65 ' HB3' HG23 ' A' ' 48' ' ' VAL . . . -57.79 -161.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.338 1.024 . . . . 0.0 109.187 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.16 46.92 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.254 0.971 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -147.02 -65.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.388 0.699 . . . . 0.0 109.403 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -148.57 21.4 1.04 Allowed 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' HB ' ' HB1' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -78.34 -10.77 13.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 124.516 1.135 . . . . 0.0 109.192 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.5 mt-10 -74.84 -58.96 1.53 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.326 1.016 . . . . 0.0 110.198 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.9 Cg_endo -75.1 -13.48 21.19 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.501 1.79 . . . . 0.0 110.777 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.122 HG22 HD11 ' A' ' 63' ' ' LEU . 4.5 t -85.11 -40.92 15.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 124.648 1.217 . . . . 0.0 109.195 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 24' ' ' GLU . 6.8 tp -71.58 -40.66 71.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.293 0.996 . . . . 0.0 109.411 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.879 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -62.78 -39.75 95.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.352 1.032 . . . . 0.0 110.13 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.0 m -78.73 -31.39 46.35 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.58 58.78 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -87.29 -40.96 14.03 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.544 1.153 . . . . 0.0 110.4 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.879 HG23 ' O ' ' A' ' 28' ' ' GLU . 9.6 pt -63.27 -34.56 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.118 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.32 -39.32 79.1 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -96.14 177.34 1.77 Allowed Pre-proline 0 N--CA 1.449 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.386 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 18.2 Cg_endo -75.09 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.395 1.734 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' PRO . . . 37.71 31.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.407 1.067 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -90.78 33.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 0.762 . . . . 0.0 109.276 -179.852 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.48 ' C ' HD12 ' A' ' 39' ' ' ILE . 5.5 pt-20 179.59 46.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.48 HD12 ' C ' ' A' ' 38' ' ' GLU . 1.5 mp -144.56 161.46 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.657 1.223 . . . . 0.0 109.178 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 22.7 m -128.6 154.77 45.88 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.444 1.09 . . . . 0.0 110.394 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 42' ' ' GLU . 60.2 t -117.1 162.5 15.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 124.552 1.158 . . . . 0.0 109.459 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -141.61 84.98 1.93 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -94.91 122.08 37.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.63 1.206 . . . . 0.0 109.36 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 25.2 tpt180 -94.23 -42.43 8.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.41 1.069 . . . . 0.0 110.245 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 158.68 -65.76 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.381 1.051 . . . . 0.0 110.154 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' ALA . . . -85.72 -60.07 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.14 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 18' ' ' ARG . 54.9 m-85 -75.67 179.34 5.44 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.696 1.247 . . . . 0.0 110.766 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 19' ' ' ALA . 55.1 t -147.08 125.92 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.626 1.204 . . . . 0.0 109.205 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 20.2 ttt180 -125.67 155.58 40.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.353 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.441 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 12.9 mt -132.83 153.32 37.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 0.0 109.346 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.99 79.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.224 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.096 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . . . -92.26 174.76 7.13 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.637 1.211 . . . . 0.0 109.189 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -90.2 -132.7 0.1 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.49 1.119 . . . . 0.0 110.454 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.567 ' HA2' ' CD2' ' A' ' 98' ' ' PHE . . . -53.67 -96.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.311 1.007 . . . . 0.0 110.783 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.485 ' C ' HD22 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -122.6 146.66 47.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.407 0.71 . . . . 0.0 110.343 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.719 ' CD2' ' HB1' ' A' ' 52' ' ' ALA . 4.2 mm? -120.47 -173.1 2.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.282 0.989 . . . . 0.0 109.489 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.802 HD12 ' H ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -147.8 149.19 15.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.802 ' H ' HD12 ' A' ' 57' ' ' ILE . 44.4 mt -148.87 129.75 14.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.409 1.068 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.9 p -117.05 12.67 14.63 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.342 1.026 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.51 32.5 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.41 1.069 . . . . 0.0 110.202 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -56.55 -24.56 47.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.627 1.204 . . . . 0.0 109.19 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 t -73.57 -35.41 65.45 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.294 0.996 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.122 HD11 HG22 ' A' ' 26' ' ' VAL . 1.9 tp -69.49 -43.85 72.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.564 1.165 . . . . 0.0 109.417 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -34.88 66.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.14 . . . . 0.0 110.183 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.62 -38.94 73.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.364 1.04 . . . . 0.0 110.181 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.2 mt-30 -62.12 -47.71 83.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.668 1.23 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.085 HD11 HG21 ' A' ' 26' ' ' VAL . 79.0 mt -39.58 -31.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.782 1.301 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.619 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -158.39 65.89 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.573 1.171 . . . . 0.0 110.92 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 43.1 mtm180 -52.16 -44.01 91.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.85 61.29 5.51 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.35 -160.42 0.84 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.657 1.223 . . . . 0.0 110.989 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.559 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -149.02 -165.17 2.21 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.564 1.165 . . . . 0.0 109.202 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -14.82 59.21 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.477 1.11 . . . . 0.0 110.941 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -58.25 -47.01 84.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' ASN . 2.0 mt-10 -53.99 -31.15 49.99 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.358 1.036 . . . . 0.0 110.188 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.98 -49.97 72.58 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.48 1.113 . . . . 0.0 109.225 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.91 -18.44 50.54 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.488 1.118 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.701 HG22 ' N ' ' A' ' 79' ' ' ASN . 1.2 mp -85.93 -68.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.163 . . . . 0.0 109.237 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.701 ' N ' HG22 ' A' ' 78' ' ' ILE . 94.8 m-20 -71.9 77.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.599 1.187 . . . . 0.0 109.174 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -146.09 163.83 34.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.705 1.253 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.47 -62.87 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.5 1.125 . . . . 0.0 109.124 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.551 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -154.81 -178.16 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.083 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 82' ' ' SER . 33.7 m-85 -169.73 175.79 5.14 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.713 ' HB1' ' HE2' ' A' ' 100' ' ' LYS . . . -116.16 -74.32 0.61 Allowed 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.541 1.15 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.42 -137.16 6.26 Favored Glycine 0 CA--C 1.533 1.196 0 O-C-N 124.566 1.167 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.68 176.93 7.91 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 124.565 0.803 . . . . 0.0 110.289 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.58 ' CG2' ' CZ ' ' A' ' 96' ' ' PHE . 19.4 pt -135.63 155.82 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.733 1.271 . . . . 0.0 109.265 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -135.43 138.37 43.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.254 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.12 131.66 56.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 5.2 t0 -100.65 -177.53 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.38 1.05 . . . . 0.0 109.146 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.8 pt-20 -33.53 -54.99 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -147.24 60.84 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.76 ' NE2' HH11 ' A' ' 95' ' ' ARG . 0.0 OUTLIER -170.19 170.83 7.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.21 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.769 HD13 ' N ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -150.51 139.52 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.602 1.189 . . . . 0.0 109.376 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.769 ' N ' HD13 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -132.96 175.97 8.9 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.333 1.02 . . . . 0.0 110.254 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.58 ' CZ ' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -132.43 160.42 36.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CE2' ' HG3' ' A' ' 95' ' ' ARG . 98.4 m-85 -148.34 143.27 26.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -85.8 14.35 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.061 . . . . 0.0 110.943 -179.848 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.84 104.28 16.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.626 1.204 . . . . 0.0 109.236 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.713 ' HE2' ' HB1' ' A' ' 84' ' ' ALA . 7.2 mttt -83.36 -79.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.611 1.195 . . . . 0.0 109.239 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.624 ' O ' HG23 ' A' ' 101' ' ' THR . 9.8 t -79.38 70.77 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.33 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.607 0 O-C-N 124.484 1.115 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.234 0.255 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 12.3 m-20 -139.57 -74.26 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.658 1.224 . . . . 0.0 109.302 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -161.29 128.7 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.175 . . . . 0.0 109.135 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.796 HG13 ' HB2' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -102.22 137.04 31.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.707 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -120.96 77.26 0.32 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.481 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.4 Cg_endo -74.82 122.4 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.42 1.747 . . . . 0.0 111.196 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 49' ' ' ARG . 4.8 mm -116.74 126.43 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.93 150.66 16.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 O-C-N 124.856 1.347 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -52.43 165.23 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 0.0 110.411 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . -108.0 165.34 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.95 -87.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -177.95 155.15 0.96 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.552 0.795 . . . . 0.0 109.173 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.4 mp 67.8 16.69 9.73 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.697 1.248 . . . . 0.0 109.251 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.411 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -81.16 -12.73 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.491 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -74.26 -57.65 2.16 Favored Pre-proline 0 N--CA 1.45 -0.438 0 O-C-N 124.355 1.034 . . . . 0.0 110.138 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.8 Cg_endo -75.05 -15.34 20.69 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 124.409 1.742 . . . . 0.0 111.011 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.114 HG13 HD21 ' A' ' 63' ' ' LEU . 6.5 t -83.62 -42.1 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 24' ' ' GLU . 8.6 tp -67.22 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.376 1.047 . . . . 0.0 109.162 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.953 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -65.39 -39.35 92.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.41 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 m -79.3 -26.12 42.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.76 1.287 . . . . 0.0 110.507 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.32 -16.6 48.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.2 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -89.16 -36.53 15.63 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.1 pp -70.94 -31.31 44.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.176 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -58.61 -26.84 64.11 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.488 1.117 . . . . 0.0 109.211 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -115.79 146.21 36.36 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.486 1.116 . . . . 0.0 109.402 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 55.62 4.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.621 1.853 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' CA ' HD13 ' A' ' 39' ' ' ILE . . . -95.41 61.53 1.49 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.02 46.13 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.525 0.779 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.55 ' C ' HD12 ' A' ' 39' ' ' ILE . 6.4 pt-20 179.49 49.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.387 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.55 HD12 ' C ' ' A' ' 38' ' ' GLU . 2.6 mp -130.12 163.87 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.4 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.493 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 5.6 m -132.86 143.14 49.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 42' ' ' GLU . 85.7 t -112.12 163.31 9.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' HG12 ' A' ' 41' ' ' VAL . 3.2 mt-10 -147.28 70.77 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.576 ' OD1' HG13 ' A' ' 48' ' ' VAL . 29.5 m-20 -93.16 109.07 20.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 109.228 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 15.9 tpt180 -81.39 -57.28 3.55 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.541 1.151 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 162.66 -47.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.237 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -76.65 -41.99 43.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 109.413 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -128.7 167.57 17.04 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.578 1.174 . . . . 0.0 111.166 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.576 HG13 ' OD1' ' A' ' 43' ' ' ASP . 47.3 t -123.78 117.36 50.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.365 1.041 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HB2' HD12 ' A' ' 16' ' ' ILE . 27.1 ttt180 -119.79 148.95 42.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.33 1.018 . . . . 0.0 110.387 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 51' ' ' ALA . 18.1 mt -134.42 168.55 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.234 0.959 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.489 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -145.28 82.24 1.65 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.75 1.281 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -88.06 178.8 6.55 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.421 1.076 . . . . 0.0 109.205 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.3 tt0 -68.11 -54.43 18.19 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.522 ' H ' HD21 ' A' ' 56' ' ' LEU . . . 161.76 -50.68 0.34 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.308 1.005 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.654 ' O ' HD13 ' A' ' 56' ' ' LEU . 30.8 tt0 -99.43 96.12 7.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 0.818 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 55' ' ' GLU . 2.0 mm? -126.9 164.72 20.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 0.0 109.374 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.914 ' O ' HD12 ' A' ' 57' ' ' ILE . 2.7 pp -148.54 116.83 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.65 140.96 42.87 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.639 1.212 . . . . 0.0 109.443 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.4 p -129.82 14.47 5.86 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.649 1.218 . . . . 0.0 110.333 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.05 33.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.508 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -22.11 61.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.672 1.232 . . . . 0.0 109.26 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -69.81 -48.17 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.399 1.062 . . . . 0.0 110.307 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.114 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -63.16 -34.12 76.95 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.605 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.72 -22.13 47.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.725 1.265 . . . . 0.0 110.245 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -37.75 26.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.456 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.482 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -65.04 -40.3 94.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 110.353 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 26' ' ' VAL . 35.3 mt -42.21 -28.43 0.19 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.275 0.984 . . . . 0.0 109.166 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.611 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.18 65.6 0.3 Allowed Glycine 0 CA--C 1.532 1.151 0 O-C-N 124.527 1.142 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.621 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 35.1 mtm180 -53.53 -43.56 95.98 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.622 0.836 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 17.9 Cg_endo -74.96 62.37 5.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.645 1.866 . . . . 0.0 111.109 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.16 -157.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.6 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -140.61 -166.25 2.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.562 1.164 . . . . 0.0 109.502 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.561 ' HA ' HD13 ' A' ' 76' ' ' LEU . 28.0 mtt -89.83 -17.34 28.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.434 1.083 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.77 -28.95 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.383 1.052 . . . . 0.0 110.225 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.58 -35.09 78.35 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.326 1.016 . . . . 0.0 110.136 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 73' ' ' MET . 3.9 mp -61.49 -59.43 5.24 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.833 ' O ' HD22 ' A' ' 80' ' ' LEU . 50.4 tt0 -61.58 -13.49 22.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 110.15 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -87.36 -44.1 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.404 1.065 . . . . 0.0 109.321 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.503 ' O ' HD12 ' A' ' 80' ' ' LEU . 43.1 m-20 -70.73 60.84 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.536 1.147 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.833 HD22 ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -118.05 141.94 47.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.47 -52.24 1.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.539 1.149 . . . . 0.0 109.391 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.418 ' N ' ' HB ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -166.12 170.99 12.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.66 1.225 . . . . 0.0 110.055 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -153.84 172.82 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.646 1.216 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.707 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -131.13 -45.14 1.02 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.348 1.03 . . . . 0.0 109.407 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.0 -146.26 10.12 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -111.2 177.07 4.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.442 0.731 . . . . 0.0 110.271 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.888 HD13 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -159.95 148.19 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 124.63 1.206 . . . . 0.0 109.376 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.888 ' N ' HD13 ' A' ' 87' ' ' ILE . 28.6 mt-30 -143.17 117.87 9.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 110.367 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -96.16 151.3 19.61 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' CD ' ' A' ' 93' ' ' GLN . 10.0 t70 -119.15 -176.31 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 90' ' ' ASP . 6.2 pt-20 -34.15 -52.51 0.46 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.555 1.16 . . . . 0.0 110.197 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -149.72 59.75 1.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.349 1.031 . . . . 0.0 109.143 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.492 ' NE2' ' NE ' ' A' ' 95' ' ' ARG . 1.6 pt20 -163.63 164.99 23.86 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 124.596 1.185 . . . . 0.0 110.222 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.585 HG13 HD11 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -142.24 112.95 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.668 1.23 . . . . 0.0 109.316 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.492 ' NE ' ' NE2' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -110.79 132.8 53.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.601 1.188 . . . . 0.0 110.421 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.11 138.25 44.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.657 1.223 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 95' ' ' ARG . 46.2 m-85 -140.57 132.66 27.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.796 ' HB2' HG13 ' A' ' 13' ' ' VAL . 3.6 t80 -88.2 -25.69 22.78 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.309 1.006 . . . . 0.0 109.477 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -139.31 -48.59 0.48 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.707 1.254 . . . . 0.0 109.246 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' ALA . 1.6 t30 179.94 147.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.271 0.982 . . . . 0.0 109.42 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.763 HG12 ' HA3' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -114.38 166.07 8.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.807 1.317 . . . . 0.0 109.494 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -156.2 85.28 0.13 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.271 0.982 . . . . 0.0 111.208 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' HD13 ' A' ' 16' ' ' ILE . 19.0 Cg_endo -74.8 130.72 13.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.544 1.813 . . . . 0.0 111.062 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 17' ' ' ILE . 8.9 mm -116.99 138.33 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 16' ' ' ILE . 4.3 pt -157.45 -173.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.382 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -167.14 1.04 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.724 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -167.11 154.18 8.73 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.04 64.4 0.27 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.591 1.182 . . . . 0.0 111.016 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -179.61 -147.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.643 0.849 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 mm? -89.64 27.71 1.45 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.436 1.085 . . . . 0.0 109.131 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.52 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.5 t -74.71 -9.47 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.728 1.267 . . . . 0.0 109.468 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.58 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.7 mt-10 -77.03 -60.81 0.75 Allowed Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.418 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.2 Cg_endo -75.02 -9.75 20.88 Favored 'Trans proline' 0 C--N 1.357 1.0 0 O-C-N 124.624 1.855 . . . . 0.0 110.973 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.033 HG13 HD21 ' A' ' 63' ' ' LEU . 23.9 t -90.16 -44.23 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.014 HD11 HD11 ' A' ' 50' ' ' ILE . 7.9 tp -70.11 -38.78 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 O-C-N 124.409 1.068 . . . . 0.0 109.213 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -66.44 -45.03 81.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.0 m -73.93 -29.82 62.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.36 1.038 . . . . 0.0 110.45 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -74.95 -14.67 60.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.617 1.198 . . . . 0.0 109.204 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.26 -43.1 11.82 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.75 ' C ' HD12 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -66.81 -24.18 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.712 1.258 . . . . 0.0 109.152 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.62 -41.55 90.68 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 56' ' ' LEU . 6.3 t30 -98.86 141.71 23.36 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.315 1.009 . . . . 0.0 109.071 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 54.27 3.56 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.403 1.738 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.46 60.35 1.54 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.706 1.254 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 56.68 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.602 0.824 . . . . 0.0 109.133 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 179.08 43.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.75 HD11 HD21 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -125.66 154.91 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.9 m -125.48 121.46 33.81 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.314 1.009 . . . . 0.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG22 HG23 ' A' ' 50' ' ' ILE . 84.9 t -91.22 149.69 4.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 124.462 1.102 . . . . 0.0 109.135 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.422 ' CB ' ' HG2' ' A' ' 49' ' ' ARG . 4.5 mt-10 -133.05 77.5 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.796 1.31 . . . . 0.0 110.41 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.61 100.37 12.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.652 1.22 . . . . 0.0 109.385 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -81.16 -71.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.655 1.222 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.04 -42.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.18 30.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.635 1.21 . . . . 0.0 109.474 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -136.72 169.8 17.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.721 1.263 . . . . 0.0 111.025 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' A' ' 19' ' ' ALA . 3.3 t -123.6 126.26 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.053 . . . . 0.0 109.064 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.422 ' HG2' ' CB ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -134.45 154.54 51.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.614 1.196 . . . . 0.0 110.42 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.014 HD11 HD11 ' A' ' 27' ' ' ILE . 2.7 mt -133.83 175.71 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.631 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -150.43 123.38 8.74 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.604 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -135.39 -175.44 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.598 1.186 . . . . 0.0 109.394 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -32.9 48.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.397 1.061 . . . . 0.0 110.359 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.423 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . 115.44 50.39 0.45 Allowed Glycine 0 CA--C 1.527 0.838 0 O-C-N 124.388 1.055 . . . . 0.0 111.083 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -178.46 87.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.448 0.734 . . . . 0.0 110.236 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 39' ' ' ILE . 1.2 mt -134.57 176.1 8.94 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.819 1.324 . . . . 0.0 109.403 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.775 ' C ' HD13 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -157.08 103.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.555 1.16 . . . . 0.0 109.257 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.461 ' HB2' HG23 ' A' ' 94' ' ' ILE . 3.8 mt -92.68 150.61 20.58 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.605 1.19 . . . . 0.0 109.3 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.0 p -134.88 8.96 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.281 0.988 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -84.18 45.46 1.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.681 1.238 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.28 -24.48 64.87 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.634 1.209 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -72.09 -34.46 68.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.469 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.033 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -70.12 -42.47 72.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.767 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -76.18 -25.81 55.58 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.16 -37.06 39.33 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.462 1.102 . . . . 0.0 110.101 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -69.84 -46.76 64.89 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 124.557 1.161 . . . . 0.0 110.393 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 26' ' ' VAL . 30.5 mt -42.75 -28.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.415 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.603 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.75 65.36 0.31 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.559 1.162 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 29.2 mtp180 -53.8 -43.51 96.46 Favored Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.628 0.84 . . . . 0.0 110.44 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.82 62.18 5.65 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.414 1.744 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.63 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.23 -159.07 0.67 Allowed 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.68 1.237 . . . . 0.0 110.903 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.585 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -151.24 -165.13 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -80.72 -10.87 59.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.4 -36.47 84.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.99 -25.36 63.57 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.36 -54.03 39.35 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.533 1.146 . . . . 0.0 109.131 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.774 ' O ' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.45 -30.56 69.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.608 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -69.57 -60.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.608 ' N ' HG22 ' A' ' 78' ' ' ILE . 23.8 m-20 -71.1 81.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.816 HD23 ' C ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -162.57 173.78 13.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.344 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.64 -66.27 0.84 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -159.45 -165.25 1.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.405 ' CG ' ' O ' ' A' ' 82' ' ' SER . 41.5 m-85 -162.15 160.05 26.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.44 1.088 . . . . 0.0 110.919 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -123.11 7.18 9.18 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.763 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -150.69 -156.71 7.46 Favored Glycine 0 CA--C 1.533 1.171 0 O-C-N 124.225 0.953 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.14 165.74 11.37 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.517 0.775 . . . . 0.0 110.445 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 94' ' ' ILE . 8.8 tt -152.2 147.13 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.667 1.229 . . . . 0.0 109.239 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.71 168.67 19.25 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.604 1.19 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.02 130.29 31.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.431 1.082 . . . . 0.0 109.164 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.483 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 2.8 t70 -103.97 -179.46 3.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.731 1.27 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 90' ' ' ASP . 9.5 pt-20 -33.51 -51.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.639 1.212 . . . . 0.0 110.213 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -151.17 61.77 0.9 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.57 1.169 . . . . 0.0 109.132 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.483 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -170.62 174.01 5.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.34 1.025 . . . . 0.0 110.368 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 87' ' ' ILE . 2.1 tt -141.8 105.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.8 149.2 24.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.231 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.791 ' CZ ' HD12 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -131.08 147.78 52.66 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.426 1.079 . . . . 0.0 110.902 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -176.86 165.74 2.47 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.66 ' HB2' HG13 ' A' ' 13' ' ' VAL . 16.5 t80 -114.73 -28.41 7.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.424 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -149.1 -88.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.719 1.262 . . . . 0.0 109.127 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -149.92 151.02 32.74 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.542 1.151 . . . . 0.0 109.398 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -130.26 160.28 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.705 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -151.94 82.84 0.17 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.4 1.062 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 116.37 4.56 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.56 1.821 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.624 HG22 ' HB3' ' A' ' 81' ' ' ALA . 8.2 mm -100.87 108.72 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.31 172.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 124.389 1.056 . . . . 0.0 109.501 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.78 160.39 30.04 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.359 1.037 . . . . 0.0 110.178 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.599 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -99.63 151.35 21.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.394 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.03 -90.89 0.1 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -177.3 150.3 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.454 0.738 . . . . 0.0 109.545 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER 66.54 18.1 10.74 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 124.418 1.074 . . . . 0.0 109.482 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.92 -9.65 12.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -78.25 -58.0 0.86 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.392 1.057 . . . . 0.0 110.274 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.7 Cg_endo -75.2 -12.83 21.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.649 1.868 . . . . 0.0 110.866 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.959 HG21 HD21 ' A' ' 67' ' ' LEU . 15.1 t -87.04 -43.67 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 27' ' ' ILE . 8.0 tp -68.97 -43.34 82.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.61 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -62.05 -43.11 99.53 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.2 m -72.43 -33.86 67.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.38 -15.67 62.38 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.501 1.125 . . . . 0.0 109.241 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -84.27 -38.0 21.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.377 1.048 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.61 HG23 ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -70.13 -24.82 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.474 1.109 . . . . 0.0 109.447 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -66.22 -25.03 66.72 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.74 168.93 10.75 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.257 0.973 . . . . 0.0 109.242 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 54.03 3.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.822 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.26 61.32 1.54 Allowed Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.502 1.126 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.27 39.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.697 0.881 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 179.4 37.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 39' ' ' ILE . 20.9 mm -87.97 147.59 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.171 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -128.55 112.49 14.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.71 1.256 . . . . 0.0 110.457 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 42' ' ' GLU . 30.8 t -96.54 163.07 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.393 1.058 . . . . 0.0 109.372 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -153.59 97.52 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -78.24 109.68 12.57 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.3 tpm_? -80.45 -69.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.343 1.027 . . . . 0.0 110.288 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 161.16 -55.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.53 -35.66 22.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -135.85 165.9 24.56 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.687 1.242 . . . . 0.0 111.002 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.599 HG23 ' HA ' ' A' ' 19' ' ' ALA . 41.0 t -104.15 136.73 36.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 124.569 1.168 . . . . 0.0 109.224 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -122.42 136.37 54.88 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.505 1.128 . . . . 0.0 110.208 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 51' ' ' ALA . 5.9 mt -127.43 168.31 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.526 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -144.23 128.9 18.2 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.583 1.177 . . . . 0.0 109.37 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.872 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -130.38 -172.92 2.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.595 1.184 . . . . 0.0 109.554 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -83.32 -46.13 12.97 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.515 1.134 . . . . 0.0 110.182 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.09 -51.83 0.29 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.532 1.145 . . . . 0.0 111.093 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.82 121.2 43.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 0.782 . . . . 0.0 110.181 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.872 HD11 ' CB ' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -137.13 173.21 11.93 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.425 1.078 . . . . 0.0 109.238 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.509 ' C ' HD13 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -158.28 132.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.401 1.063 . . . . 0.0 109.442 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.427 ' C ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -134.35 158.26 44.26 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.64 1.213 . . . . 0.0 109.5 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.427 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 22.0 p -149.73 19.4 0.91 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.359 1.037 . . . . 0.0 110.212 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -87.55 46.21 1.36 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.444 1.09 . . . . 0.0 110.231 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -18.32 51.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.322 1.014 . . . . 0.0 109.444 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.6 t -74.1 -47.34 36.96 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.408 1.067 . . . . 0.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.84 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.07 -38.46 90.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.747 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -73.6 -33.29 64.53 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.612 1.195 . . . . 0.0 110.349 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.13 -39.76 71.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -65.72 -49.36 68.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 124.33 1.019 . . . . 0.0 110.353 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.959 HD21 HG21 ' A' ' 26' ' ' VAL . 12.2 mt -42.86 -27.77 0.21 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.622 1.201 . . . . 0.0 109.188 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.83 65.19 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.376 1.048 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.1 mtt-85 -53.83 -43.46 96.43 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.547 0.792 . . . . 0.0 110.416 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.1 Cg_endo -74.93 62.16 5.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.635 1.861 . . . . 0.0 111.067 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.15 -157.73 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 110.958 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.588 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -163.58 -169.83 2.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -75.12 -14.25 60.55 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 124.693 1.246 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -44.77 95.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.417 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 2.1 mt-10 -63.3 -32.98 74.54 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.517 1.135 . . . . 0.0 110.199 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 76' ' ' LEU . 0.7 OUTLIER -55.92 -48.56 75.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.624 ' O ' HD21 ' A' ' 80' ' ' LEU . 14.9 tt0 -51.38 -32.66 26.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.279 0.987 . . . . 0.0 110.279 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 78' ' ' ILE . 0.5 OUTLIER -89.82 -30.77 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 75' ' ' GLU . 19.1 m120 -70.2 60.52 0.19 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 124.488 1.117 . . . . 0.0 109.197 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.624 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -159.43 80.44 0.74 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.725 1.266 . . . . 0.0 109.428 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.624 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -50.85 -41.81 58.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.783 1.302 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.478 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -166.57 -170.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.191 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 80' ' ' LEU . 11.2 m-85 -163.33 151.83 13.95 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.625 1.203 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.705 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -109.28 -16.95 13.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.329 1.018 . . . . 0.0 109.402 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.22 -138.84 3.66 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.507 1.129 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -122.4 156.94 32.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.666 0.863 . . . . 0.0 110.314 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 1.039 HD11 HD11 ' A' ' 94' ' ' ILE . 7.5 tt -131.4 158.37 43.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -143.41 169.14 18.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.469 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.32 138.52 25.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.213 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.477 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 2.5 t70 -108.93 179.66 4.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.49 -47.84 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.115 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.54 64.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.162 . . . . 0.0 109.337 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.477 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -173.28 167.14 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.624 1.203 . . . . 0.0 110.245 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.039 HD11 HD11 ' A' ' 87' ' ' ILE . 1.4 tt -142.92 122.21 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.706 1.254 . . . . 0.0 109.341 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.37 167.82 13.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 1.186 . . . . 0.0 110.219 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.901 ' CZ ' HD12 ' A' ' 87' ' ' ILE . 25.5 m-85 -129.41 157.15 42.76 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.429 1.081 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 8.9 p90 -163.88 129.67 3.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.68 1.237 . . . . 0.0 110.975 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -90.66 -28.28 18.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.35 1.031 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.564 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 10.3 m-20 -161.68 -69.74 0.06 Allowed 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.426 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 52' ' ' ALA . 1.8 p30 -172.9 146.69 1.58 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.609 1.193 . . . . 0.0 109.196 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 53' ' ' GLU . 1.8 m -102.39 138.08 27.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.67 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -126.76 78.28 0.38 Allowed Glycine 0 CA--C 1.527 0.844 0 O-C-N 124.339 1.025 . . . . 0.0 111.072 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.876 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.4 Cg_endo -75.14 137.81 21.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.876 HD13 ' O ' ' A' ' 15' ' ' PRO . 5.7 mm -126.38 127.79 70.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.603 HG22 ' HA ' ' A' ' 80' ' ' LEU . 2.9 pt -141.26 -161.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 109.425 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -111.85 163.27 14.38 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.255 0.972 . . . . 0.0 110.347 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.433 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -84.99 106.36 16.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 1.128 . . . . 0.0 109.215 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.14 -85.98 0.96 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.681 1.238 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.96 130.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 0.0 109.208 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER 66.16 20.99 11.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.412 1.07 . . . . 0.0 109.496 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.787 HG11 HG21 ' A' ' 48' ' ' VAL . 1.3 t -78.81 -12.14 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.398 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.526 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -74.67 -58.25 1.78 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.772 1.295 . . . . 0.0 110.484 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.526 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.8 Cg_endo -75.09 -13.0 21.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.61 1.847 . . . . 0.0 111.014 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.004 HG13 HD21 ' A' ' 63' ' ' LEU . 5.9 t -86.09 -40.31 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 O-C-N 124.369 1.043 . . . . 0.0 109.445 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 24' ' ' GLU . 8.8 tp -73.25 -43.52 56.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.874 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.23 -37.21 86.33 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.671 1.232 . . . . 0.0 110.421 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.3 m -81.87 -28.56 32.91 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.32 1.012 . . . . 0.0 110.336 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -77.95 -17.05 57.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.12 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.729 ' OE2' HG21 ' A' ' 39' ' ' ILE . 6.4 mm-40 -87.1 -40.52 14.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.683 1.239 . . . . 0.0 110.377 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 28' ' ' GLU . 8.3 pt -64.97 -34.08 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.377 1.048 . . . . 0.0 109.342 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.494 ' OD1' ' CZ ' ' A' ' 60' ' ' ARG . 19.4 t0 -47.58 -26.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.423 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.41 158.85 43.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.223 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 53.35 3.37 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.463 1.77 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.85 61.29 1.4 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 50.23 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.23 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 178.95 51.23 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 124.418 1.073 . . . . 0.0 110.327 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.729 HG21 ' OE2' ' A' ' 31' ' ' GLU . 21.1 mt -117.1 144.44 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.661 1.226 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.9 m -116.91 111.92 20.32 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.568 1.167 . . . . 0.0 110.359 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -92.3 158.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.338 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.36 72.08 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.549 1.156 . . . . 0.0 110.215 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -93.03 111.12 22.64 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 4.8 tpt180 -81.04 -60.19 2.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.428 1.08 . . . . 0.0 110.299 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 160.16 -50.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.375 1.047 . . . . 0.0 110.324 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 47' ' ' TYR . . . -79.28 -22.26 44.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.38 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 18.9 m-85 -144.22 174.54 10.8 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.26 0.975 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.787 HG21 HG11 ' A' ' 23' ' ' VAL . 64.2 t -129.11 128.98 67.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 59.8 ttt-85 -128.14 157.26 41.27 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.407 1.067 . . . . 0.0 110.276 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 43.1 mt -145.97 161.0 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 124.768 1.292 . . . . 0.0 109.181 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -166.55 122.12 1.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.772 1.295 . . . . 0.0 109.009 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' A' ' 12' ' ' ASN . . . -174.19 -169.53 0.47 Allowed 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 124.375 1.047 . . . . 0.0 109.234 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.591 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -38.98 153.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.08 49.01 0.98 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.684 1.24 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -173.41 85.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.136 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 175.81 8.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.596 HD13 ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -151.87 140.13 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.596 ' N ' HD13 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -130.09 161.0 32.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 124.413 1.07 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.414 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 31.4 p -150.28 20.06 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.618 1.199 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.494 ' CZ ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -87.73 42.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 110.476 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.06 64.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.48 -34.19 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.245 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.004 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -70.54 -46.57 63.34 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.562 1.164 . . . . 0.0 109.548 179.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -67.54 -37.56 82.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' ARG . 4.9 mt-10 -68.05 -41.07 82.58 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 mt-30 -63.0 -51.03 68.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 110.144 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 64' ' ' GLU . 21.6 mt -41.73 -28.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.351 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.67 65.84 0.3 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 8.1 mtm180 -53.95 -43.43 96.68 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 124.418 0.717 . . . . 0.0 110.186 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 17.8 Cg_endo -75.09 61.82 5.81 Favored 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.672 1.88 . . . . 0.0 110.866 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.03 -160.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 0.0 111.007 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.586 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -144.78 -165.27 2.11 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -14.42 49.01 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.47 1.106 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.45 -33.41 74.77 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.606 1.191 . . . . 0.0 110.293 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.98 -28.69 65.74 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.38 1.05 . . . . 0.0 110.305 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.5 -52.0 65.2 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.67 -11.52 60.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.98 -44.13 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.679 1.237 . . . . 0.0 109.412 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.09 62.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.688 1.243 . . . . 0.0 109.207 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 80' ' ' LEU . 1.1 pp -151.85 154.4 36.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.87 -57.21 2.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.492 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -157.95 -166.05 1.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 110.057 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 82' ' ' SER . 42.1 m-85 -163.59 157.23 19.22 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.416 1.072 . . . . 0.0 111.099 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -110.03 -2.73 16.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.227 0.954 . . . . 0.0 109.4 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.12 -144.76 4.0 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.485 1.116 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -120.65 165.92 14.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.682 0.871 . . . . 0.0 110.335 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -147.61 134.5 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.742 1.276 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -127.2 157.67 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.388 1.055 . . . . 0.0 110.101 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.09 142.17 51.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.397 1.061 . . . . 0.0 109.416 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 93' ' ' GLN . 4.1 t0 -105.31 -177.74 3.45 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.666 1.228 . . . . 0.0 109.299 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.56 -49.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -153.35 61.46 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.365 1.041 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.464 ' CD ' ' CB ' ' A' ' 90' ' ' ASP . 1.2 pt20 -168.7 167.44 11.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.408 1.068 . . . . 0.0 110.097 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.552 HG23 HD12 ' A' ' 58' ' ' LEU . 1.2 tp -138.16 122.81 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.468 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.95 144.72 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.396 1.06 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -115.94 146.95 41.65 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -165.82 162.22 18.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 51.4 t80 -131.74 83.3 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.579 0 O-C-N 124.526 1.141 . . . . 0.0 109.145 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -144.32 -78.57 0.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' ALA . 16.5 p-10 -158.19 127.14 5.62 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.534 1.146 . . . . 0.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.008 HG22 ' HB3' ' A' ' 52' ' ' ALA . 3.5 m -89.69 177.03 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.658 1.224 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.747 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -172.41 71.44 0.1 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.302 1.001 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.538 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.3 Cg_endo -75.18 135.5 18.84 Favored 'Trans proline' 0 C--N 1.362 1.258 0 O-C-N 124.362 1.717 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.538 HD13 ' O ' ' A' ' 15' ' ' PRO . 9.3 mm -124.8 140.9 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 124.386 1.053 . . . . 0.0 109.1 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 16' ' ' ILE . 11.4 pt -153.71 -171.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.209 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.58 153.31 20.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -71.43 129.46 38.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.078 . . . . 0.0 109.436 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.29 -87.94 2.02 Favored Glycine 0 CA--C 1.528 0.866 0 O-C-N 124.693 1.246 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -179.95 134.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.3 mt 66.21 19.69 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.394 1.058 . . . . 0.0 109.536 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.62 HG11 HG21 ' A' ' 48' ' ' VAL . 1.4 t -79.11 -9.54 12.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.51 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -79.58 -57.7 0.69 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.294 0.996 . . . . 0.0 110.356 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -75.03 -11.28 21.41 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.244 1.655 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.038 HG13 HD11 ' A' ' 63' ' ' LEU . 22.1 t -89.88 -44.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.518 1.136 . . . . 0.0 109.488 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' VAL . 5.0 tp -68.36 -32.35 55.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -73.43 -41.67 62.97 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.424 1.077 . . . . 0.0 110.202 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 m -77.57 -24.39 49.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.625 1.203 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.51 -32.29 36.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.455 1.097 . . . . 0.0 109.397 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.639 ' OE2' HG21 ' A' ' 39' ' ' ILE . 13.0 mm-40 -70.2 -44.69 68.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.337 1.023 . . . . 0.0 110.229 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 28' ' ' GLU . 21.6 pt -61.22 -40.91 87.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.408 1.067 . . . . 0.0 109.38 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 32' ' ' ILE . 7.8 t70 -52.11 -27.63 14.79 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.417 1.073 . . . . 0.0 109.465 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -112.06 156.84 41.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 47.99 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.405 1.739 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.51 59.96 1.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.59 43.04 1.08 Allowed 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 124.607 0.828 . . . . 0.0 109.393 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.27 38.83 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.584 1.178 . . . . 0.0 110.156 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.666 ' CD1' HD11 ' A' ' 56' ' ' LEU . 11.6 mm -94.23 150.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.434 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -112.42 112.11 23.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.398 1.061 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.9 t -112.46 146.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -130.9 68.67 1.48 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -82.96 105.09 13.68 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 20.6 tpt180 -80.24 -58.19 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.136 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 162.33 -48.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.32 -31.07 25.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.396 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -126.03 171.65 10.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.62 HG21 HG11 ' A' ' 23' ' ' VAL . 90.1 t -131.51 105.3 10.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 124.526 1.141 . . . . 0.0 109.233 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -97.97 149.89 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.675 1.235 . . . . 0.0 110.271 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 51' ' ' ALA . 27.6 mt -145.24 162.2 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 O-C-N 124.408 1.067 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -157.92 154.78 28.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.62 1.2 . . . . 0.0 109.387 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.008 ' HB3' HG22 ' A' ' 13' ' ' VAL . . . -145.42 151.25 37.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.18 50.47 1.86 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.536 1.148 . . . . 0.0 110.195 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.78 -83.36 0.2 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.618 1.199 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -161.02 177.5 10.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.708 0.887 . . . . 0.0 110.22 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 39' ' ' ILE . 87.6 mt -151.26 -175.09 5.03 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.362 1.039 . . . . 0.0 109.255 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.5 tp -149.54 127.45 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.263 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.643 ' HB2' HG23 ' A' ' 94' ' ' ILE . 0.7 OUTLIER -121.19 138.65 54.11 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.618 1.199 . . . . 0.0 109.431 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.3 p -133.74 8.16 3.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.61 40.2 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.199 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -23.58 44.63 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.566 1.166 . . . . 0.0 109.389 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -72.64 -41.63 65.29 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 124.243 0.964 . . . . 0.0 110.403 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.038 HD11 HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -66.72 -33.02 74.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.352 1.032 . . . . 0.0 109.426 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.696 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -84.76 -20.78 30.51 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.566 1.166 . . . . 0.0 110.261 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.64 -33.12 23.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.2 mt-30 -76.76 -45.33 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.608 1.192 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 26' ' ' VAL . 20.7 mt -44.53 -26.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -154.77 64.99 0.33 Allowed Glycine 0 CA--C 1.533 1.159 0 O-C-N 124.438 1.086 . . . . 0.0 110.926 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.637 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 28.6 mtm105 -55.61 -42.85 98.16 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.558 0.799 . . . . 0.0 110.2 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.95 62.42 5.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.701 1.895 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.14 -159.15 0.74 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 110.956 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.55 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.23 -160.5 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 109.185 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.7 ptp -75.15 -20.48 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.35 1.031 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.97 -58.5 7.9 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.594 1.184 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.46 -33.28 20.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.34 1.025 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.09 -52.26 66.28 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.582 1.176 . . . . 0.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.744 ' O ' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -80.52 -28.08 37.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.691 1.245 . . . . 0.0 110.365 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.643 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.5 OUTLIER -70.34 -64.14 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.665 1.228 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.643 ' N ' HG22 ' A' ' 78' ' ' ILE . 97.1 m-20 -72.61 85.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.792 HD23 ' C ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -160.34 170.05 21.86 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.635 1.209 . . . . 0.0 109.321 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.96 -71.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.441 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -151.98 -162.92 1.62 Allowed 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 124.563 1.164 . . . . 0.0 109.996 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 82' ' ' SER . 40.4 m-85 -166.54 167.88 15.15 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.747 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -116.61 -38.83 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.23 -155.05 10.41 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.58 1.175 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -108.92 165.31 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 110.174 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.502 ' CG2' ' CE1' ' A' ' 96' ' ' PHE . 5.8 pt -136.96 147.3 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 O-C-N 124.517 1.136 . . . . 0.0 109.144 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -142.27 152.54 43.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.49 132.51 51.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 109.246 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.489 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 17.3 t0 -101.41 -176.74 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.635 1.209 . . . . 0.0 109.225 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -33.93 -46.16 0.22 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.502 1.127 . . . . 0.0 110.198 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.05 60.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.394 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 2.2 pt20 -166.77 170.07 12.75 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.643 HG23 ' HB2' ' A' ' 58' ' ' LEU . 4.4 tt -143.35 104.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.377 1.048 . . . . 0.0 109.253 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 140.48 30.02 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.502 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 2.5 m-30 -117.61 147.39 42.9 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.651 1.219 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 8.6 p90 -171.04 151.46 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.37 1.044 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.812 ' HB2' HG12 ' A' ' 13' ' ' VAL . 56.5 t80 -112.91 92.58 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.64 1.213 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.319 1.012 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.7 p30 . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -157.06 -87.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.45 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -147.63 130.76 16.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 109.409 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.79 HG12 ' HB2' ' A' ' 98' ' ' PHE . 28.0 m -90.22 -177.58 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 O-C-N 124.339 1.024 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' CA ' ' HB3' ' A' ' 84' ' ' ALA . . . -177.06 92.01 0.09 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.44 1.087 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.545 ' O ' HD12 ' A' ' 16' ' ' ILE . 18.0 Cg_endo -75.21 127.37 10.49 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.544 1.813 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.677 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -111.27 89.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 124.463 1.102 . . . . 0.0 109.228 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.5 pt -115.58 -175.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 109.226 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.88 -167.27 1.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . -120.34 97.52 5.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.12 -86.91 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.072 . . . . 0.0 111.05 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -179.88 137.01 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.819 0.952 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER 66.52 18.39 10.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.333 1.021 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.452 HG11 HG21 ' A' ' 48' ' ' VAL . 1.3 t -78.68 -10.56 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.594 1.184 . . . . 0.0 109.389 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.522 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -76.9 -58.55 1.04 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 110.476 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.5 Cg_endo -74.87 -11.93 21.76 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.275 1.671 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.066 HG13 HD21 ' A' ' 63' ' ' LEU . 17.7 t -88.64 -41.46 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.561 HD11 HD13 ' A' ' 50' ' ' ILE . 1.9 tp -72.98 -36.54 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.478 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.791 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -73.0 -33.98 66.13 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.405 ' O ' HG12 ' A' ' 32' ' ' ILE . 95.0 m -83.07 -28.09 29.8 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 124.389 1.055 . . . . 0.0 110.301 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.94 -18.39 56.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.643 1.214 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' OE2' HD12 ' A' ' 39' ' ' ILE . 14.0 mm-40 -84.67 -41.65 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 28' ' ' GLU . 9.8 pt -62.65 -35.68 71.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.309 1.006 . . . . 0.0 109.123 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 32' ' ' ILE . 6.7 t70 -48.74 -26.4 2.32 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.627 1.204 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -117.47 170.19 6.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.87 54.2 3.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.352 1.711 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.36 62.68 1.44 Allowed Glycine 0 CA--C 1.527 0.786 0 O-C-N 124.452 1.095 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 44.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 0.716 . . . . 0.0 109.4 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.39 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.668 HD13 ' CB ' ' A' ' 52' ' ' ALA . 31.6 mm -83.46 149.11 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.2 m -127.5 111.42 13.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.407 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.3 t -101.84 158.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.33 84.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.3 111.21 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 24.0 tpt180 -81.38 -58.75 2.9 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.414 1.071 . . . . 0.0 110.191 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER 158.57 -58.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.428 1.08 . . . . 0.0 110.192 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.781 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -89.83 -38.06 14.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.402 ' HA ' ' N ' ' A' ' 19' ' ' ALA . 6.7 m-85 -115.6 173.97 6.26 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.36 1.037 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.452 HG21 HG11 ' A' ' 23' ' ' VAL . 24.0 t -124.98 131.73 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.354 1.034 . . . . 0.0 109.179 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -124.67 131.38 53.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.43 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.561 HD13 HD11 ' A' ' 27' ' ' ILE . 2.0 mt -125.91 161.87 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.632 1.208 . . . . 0.0 109.373 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -163.93 144.1 8.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.397 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.668 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . 179.8 -171.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.362 1.039 . . . . 0.0 109.446 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.506 ' O ' HG22 ' A' ' 13' ' ' VAL . 2.4 mt-10 -41.71 162.33 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.681 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -103.35 33.84 6.25 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.313 1.008 . . . . 0.0 111.079 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' H ' HD22 ' A' ' 56' ' ' LEU . 13.6 tt0 -163.44 75.0 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.512 0.771 . . . . 0.0 110.159 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.448 HD22 ' H ' ' A' ' 55' ' ' GLU . 2.4 mm? -116.47 177.37 4.72 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.619 1.2 . . . . 0.0 109.238 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -154.41 117.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 109.43 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.64 156.02 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 109.426 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.6 p -147.17 17.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.338 1.024 . . . . 0.0 110.488 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.445 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -89.62 36.43 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.289 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -23.98 63.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.403 1.065 . . . . 0.0 109.406 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -73.1 -41.92 63.53 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.681 1.238 . . . . 0.0 110.471 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.066 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -62.52 -44.28 96.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.217 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.843 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -69.43 -39.54 77.79 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.415 1.072 . . . . 0.0 110.449 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -39.0 91.89 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.476 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -66.28 -47.73 72.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 64' ' ' GLU . 14.6 mt -42.79 -27.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.05 65.3 0.31 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.574 1.172 . . . . 0.0 111.108 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.637 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 44.5 mtp180 -54.05 -43.55 97.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.2 Cg_endo -75.09 62.24 5.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.387 1.73 . . . . 0.0 110.774 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -159.06 -159.95 0.81 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.467 1.104 . . . . 0.0 111.228 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.59 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -142.19 -165.88 2.12 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.294 0.996 . . . . 0.0 109.332 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.1 ttt -82.09 -29.83 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -45.58 -48.17 14.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -48.9 -36.78 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.668 1.23 . . . . 0.0 110.215 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.39 -50.29 72.13 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.389 1.055 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 14.7 tt0 -78.75 -9.72 59.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -90.66 -59.53 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.386 1.054 . . . . 0.0 109.365 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.551 ' N ' HG22 ' A' ' 78' ' ' ILE . 13.7 m120 -70.15 65.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.411 1.069 . . . . 0.0 109.218 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -146.54 163.46 35.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.392 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -131.05 -66.64 0.74 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.407 1.067 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -141.58 -169.08 2.8 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.475 1.109 . . . . 0.0 109.937 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 82' ' ' SER . 8.3 m-85 -165.7 133.22 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.421 ' HB3' ' CA ' ' A' ' 14' ' ' GLY . . . -96.75 29.05 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.409 1.068 . . . . 0.0 109.274 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.59 -174.63 45.75 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.369 1.043 . . . . 0.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -103.97 139.25 39.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.812 0.948 . . . . 0.0 110.197 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.447 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 1.7 pp -121.06 134.54 64.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.499 1.124 . . . . 0.0 109.105 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 22.5 pt20 -126.4 144.35 50.86 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.68 1.238 . . . . 0.0 110.256 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.78 142.66 46.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -119.33 -175.06 2.86 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.174 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 90' ' ' ASP . 3.2 pt-20 -29.59 -59.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -148.39 61.41 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.315 1.01 . . . . 0.0 109.437 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.476 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 13.7 pt20 -171.35 171.59 5.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.298 0.999 . . . . 0.0 110.307 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 4.1 tt -147.22 110.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.624 1.203 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.45 139.43 31.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.429 1.081 . . . . 0.0 110.286 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.447 ' CZ ' HG21 ' A' ' 87' ' ' ILE . 4.5 m-85 -110.4 145.03 38.28 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.41 1.069 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 9.4 p90 -170.62 142.39 2.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 0.0 111.119 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.79 ' HB2' HG12 ' A' ' 13' ' ' VAL . 15.1 t80 -113.34 82.04 1.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.424 1.078 . . . . 0.0 109.413 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.516 ' ND2' ' CZ ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -126.79 -48.2 1.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.9 p30 179.95 142.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.071 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 52' ' ' ALA . 8.3 m -98.71 170.62 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 124.398 1.061 . . . . 0.0 109.285 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.4 87.62 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' C ' HD13 ' A' ' 16' ' ' ILE . 18.8 Cg_endo -74.89 113.47 3.8 Favored 'Trans proline' 0 C--N 1.358 1.051 0 O-C-N 124.689 1.889 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.478 ' C ' ' HB3' ' A' ' 81' ' ' ALA . 8.9 mm -108.01 132.37 55.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.466 1.104 . . . . 0.0 109.21 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.647 HG22 ' HA ' ' A' ' 80' ' ' LEU . 13.0 pt -145.75 -171.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.92 165.59 11.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.582 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -94.09 127.06 39.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.667 1.23 . . . . 0.0 109.4 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.72 -80.28 1.41 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.559 1.162 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 179.62 -37.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.205 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.1 mm? -116.74 15.5 15.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.589 1.181 . . . . 0.0 109.274 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.627 HG11 HG21 ' A' ' 48' ' ' VAL . 2.1 t -77.84 -10.04 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.146 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.556 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -76.91 -59.35 0.94 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.252 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.556 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -75.0 -10.32 21.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.062 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.827 HG13 HD11 ' A' ' 63' ' ' LEU . 17.6 t -90.45 -46.2 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.225 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 23' ' ' VAL . 6.5 tp -66.99 -33.49 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.15 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.675 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -72.17 -42.86 65.39 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.593 1.183 . . . . 0.0 110.371 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.9 m -74.89 -26.29 59.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.11 -20.51 52.04 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.286 0.991 . . . . 0.0 109.374 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -83.08 -39.55 21.02 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.699 1.249 . . . . 0.0 110.438 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 28' ' ' GLU . 10.5 pt -68.87 -36.22 73.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.725 1.266 . . . . 0.0 109.471 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -25.12 51.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.728 1.268 . . . . 0.0 109.2 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.19 147.34 36.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.686 1.241 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 54.8 3.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.412 1.743 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.88 60.31 1.7 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.151 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 50.65 1.55 Allowed 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.677 0.869 . . . . 0.0 109.354 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.513 ' C ' HD12 ' A' ' 39' ' ' ILE . 5.3 pt-20 179.22 47.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.589 1.18 . . . . 0.0 110.438 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.513 HD12 ' C ' ' A' ' 38' ' ' GLU . 1.3 mp -137.1 148.96 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 O-C-N 124.582 1.176 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.846 HG22 ' HB3' ' A' ' 51' ' ' ALA . 14.5 t -113.19 166.79 11.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 110.556 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.712 HG22 HG12 ' A' ' 50' ' ' ILE . 43.9 t -149.74 134.72 10.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 124.433 1.083 . . . . 0.0 109.402 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -113.78 74.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.404 1.065 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.36 102.6 13.54 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.611 1.194 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 6.3 tpm_? -83.85 -59.77 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 4.5 mtt180 158.99 -51.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -78.61 -35.66 45.31 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.673 1.233 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -129.58 169.8 14.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.627 HG21 HG11 ' A' ' 23' ' ' VAL . 57.5 t -128.63 119.81 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.408 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 22.4 ttt180 -117.09 149.45 40.3 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.334 1.021 . . . . 0.0 110.29 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.712 HG12 HG22 ' A' ' 41' ' ' VAL . 96.9 mt -143.68 160.58 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.369 1.043 . . . . 0.0 109.439 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.846 ' HB3' HG22 ' A' ' 40' ' ' THR . . . -144.24 128.23 17.5 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.726 1.266 . . . . 0.0 109.168 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.82 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -130.41 116.3 18.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.276 0.985 . . . . 0.0 109.242 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.42 55.12 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.447 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.77 -96.03 0.12 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.627 1.204 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -166.11 173.21 10.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.676 0.868 . . . . 0.0 110.297 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.4 mt -152.25 -179.57 7.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.669 1.23 . . . . 0.0 109.197 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -156.44 107.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.542 ' HB2' HG23 ' A' ' 94' ' ' ILE . 4.8 mt -104.86 135.9 45.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.088 . . . . 0.0 109.146 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.1 p -135.21 15.18 3.5 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.408 1.067 . . . . 0.0 110.496 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.08 44.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.594 1.184 . . . . 0.0 110.261 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -23.58 62.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.063 . . . . 0.0 109.379 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -48.22 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.612 1.195 . . . . 0.0 110.423 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.827 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.3 -47.21 87.0 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.536 1.148 . . . . 0.0 109.5 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.759 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.87 -35.66 81.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.399 1.062 . . . . 0.0 110.322 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.51 -39.73 77.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 0.0 110.474 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.3 mt-30 -65.6 -47.95 73.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.073 . . . . 0.0 110.148 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.68 HD11 HG21 ' A' ' 26' ' ' VAL . 71.3 mt -41.2 -29.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.606 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.33 65.86 0.3 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.305 1.003 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.632 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 3.7 mtm105 -53.6 -43.49 95.99 Favored Pre-proline 0 C--N 1.321 -0.652 0 O-C-N 124.486 0.757 . . . . 0.0 110.165 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.86 63.12 5.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.369 1.72 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.62 -164.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.726 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.502 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -144.57 -165.92 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.181 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.3 ptt? -79.97 -10.3 59.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.657 1.223 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -37.18 86.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.16 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.5 mt-10 -67.88 -28.48 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 110.145 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.01 -54.07 46.75 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.715 1.259 . . . . 0.0 109.321 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.619 ' O ' HD21 ' A' ' 80' ' ' LEU . 5.0 tt0 -70.5 -13.96 62.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.398 1.061 . . . . 0.0 110.147 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.55 -32.33 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 O-C-N 124.331 1.019 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' GLU . 65.6 m-20 -86.09 68.56 10.33 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.308 1.005 . . . . 0.0 109.445 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.647 ' HA ' HG22 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -141.69 164.06 31.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HB3' ' C ' ' A' ' 16' ' ' ILE . . . -134.44 -52.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.707 1.255 . . . . 0.0 109.195 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.537 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -165.67 177.59 7.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.309 1.006 . . . . 0.0 110.131 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 82' ' ' SER . 71.3 m-85 -165.45 144.0 6.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.94 -64.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.33 -135.35 2.16 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.364 1.04 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -135.45 166.3 23.48 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.405 0.709 . . . . 0.0 110.414 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.753 HG22 ' CD2' ' A' ' 96' ' ' PHE . 7.7 pt -122.89 170.94 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.408 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -155.87 114.33 3.43 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.593 1.183 . . . . 0.0 110.4 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.27 140.9 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 91' ' ' GLU . 14.5 t0 -110.63 -175.31 2.69 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.492 1.12 . . . . 0.0 109.379 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.5 pt-20 -31.91 -56.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.766 1.291 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -150.76 54.24 0.89 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.395 1.059 . . . . 0.0 109.225 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.475 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.4 pt20 -154.5 -168.66 2.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.617 1.198 . . . . 0.0 110.324 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 58' ' ' LEU . 2.5 tt -162.78 119.61 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 O-C-N 124.586 1.179 . . . . 0.0 109.208 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.58 151.67 40.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.287 0.992 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.753 ' CD2' HG22 ' A' ' 87' ' ' ILE . 19.0 m-85 -123.27 153.78 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.696 1.248 . . . . 0.0 111.059 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 2.9 p90 -151.82 165.6 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.524 ' CB ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -115.07 -23.81 8.86 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.642 1.214 . . . . 0.0 111.075 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.491 ' OD2' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.574 0 O-C-N 124.642 1.213 . . . . 0.0 109.394 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 p30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -178.73 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.393 1.058 . . . . 0.0 109.234 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -147.37 139.81 24.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.441 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.491 HG13 ' HB2' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -123.27 178.74 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.322 1.014 . . . . 0.0 109.271 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.621 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -159.61 84.36 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.675 ' C ' HD13 ' A' ' 16' ' ' ILE . 18.8 Cg_endo -74.66 125.05 9.24 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.439 1.757 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.675 HD13 ' C ' ' A' ' 15' ' ' PRO . 4.7 mm -113.32 123.3 68.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.695 HG22 ' HG ' ' A' ' 80' ' ' LEU . 1.1 pt -138.68 171.76 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -67.29 170.41 7.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.708 1.255 . . . . 0.0 110.388 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.791 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -107.73 156.83 18.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.49 -90.07 0.86 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 111.052 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 179.64 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.48 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 8.3 mp -111.29 20.63 17.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.356 1.035 . . . . 0.0 109.354 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.793 HG11 HG21 ' A' ' 48' ' ' VAL . 1.7 t -78.29 -9.58 12.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.746 1.278 . . . . 0.0 109.219 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -77.61 -58.45 0.92 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.693 1.246 . . . . 0.0 110.45 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -74.85 -11.62 21.78 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.372 1.722 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.9 HG13 HD11 ' A' ' 63' ' ' LEU . 8.6 t -89.59 -45.86 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.142 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 23' ' ' VAL . 6.0 tp -66.33 -35.09 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.691 1.245 . . . . 0.0 109.472 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -68.15 -47.26 68.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.32 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 m -71.81 -28.41 63.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.14 . . . . 0.0 110.477 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.99 -16.56 58.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.254 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -85.55 -37.6 19.44 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.56 1.162 . . . . 0.0 110.342 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 28' ' ' GLU . 8.1 pt -69.36 -30.38 45.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.633 1.208 . . . . 0.0 109.357 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.78 -27.14 63.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.2 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.01 159.42 32.28 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.231 0.957 . . . . 0.0 109.243 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -0.05 9.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.322 1.696 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.765 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -79.68 52.52 4.17 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.44 1.087 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 56.39 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.611 0.83 . . . . 0.0 109.198 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -179.95 50.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.68 1.238 . . . . 0.0 110.316 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.765 HD12 ' O ' ' A' ' 36' ' ' GLY . 1.8 mt -114.58 150.63 16.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.529 1.143 . . . . 0.0 109.44 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.3 m -112.41 113.06 25.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.529 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.455 HG22 HG23 ' A' ' 50' ' ' ILE . 46.6 t -94.05 152.62 3.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.64 80.0 1.85 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.195 0.934 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.31 105.32 6.27 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.38 1.05 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.1 tpt180 -81.64 -69.51 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 164.24 -47.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.38 1.05 . . . . 0.0 110.303 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -83.25 -40.84 19.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.18 . . . . 0.0 109.353 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.403 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 19.8 m-85 -134.18 166.81 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.793 HG21 HG11 ' A' ' 23' ' ' VAL . 95.1 t -110.38 123.53 66.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 124.629 1.206 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 29.7 ttm180 -115.55 155.05 28.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.18 . . . . 0.0 110.389 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.455 HG23 HG22 ' A' ' 41' ' ' VAL . 2.4 mt -144.62 166.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.596 1.185 . . . . 0.0 109.209 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -167.24 131.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.632 1.208 . . . . 0.0 109.158 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 39' ' ' ILE . . . -178.84 -164.31 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.427 1.08 . . . . 0.0 109.126 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 155.02 1.86 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.483 ' HA2' HG22 ' A' ' 13' ' ' VAL . . . -93.67 58.39 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.647 1.217 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.55 92.09 0.06 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.71 0.888 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.618 HD22 HD11 ' A' ' 39' ' ' ILE . 3.2 mt -137.36 176.59 8.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.337 1.023 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.408 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 1.1 pp -151.3 143.77 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.617 1.198 . . . . 0.0 109.268 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 136.51 47.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.607 1.192 . . . . 0.0 109.389 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.2 p -140.25 19.8 2.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.325 1.016 . . . . 0.0 110.374 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 34.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.505 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -51.91 -23.53 5.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 63' ' ' LEU . 7.1 t -67.79 -49.8 60.41 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.361 1.038 . . . . 0.0 110.471 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.9 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -74.08 -38.14 64.0 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.342 1.026 . . . . 0.0 109.406 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.612 ' HA ' HD12 ' A' ' 67' ' ' LEU . 2.7 mm-40 -66.94 -32.08 73.09 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.4 mm-40 -71.54 -44.24 64.96 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.684 1.24 . . . . 0.0 110.229 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.47 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.1 mm-40 -64.2 -49.17 73.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.621 1.201 . . . . 0.0 110.346 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.675 HD11 HG11 ' A' ' 26' ' ' VAL . 20.2 mt -42.81 -28.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.171 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.622 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -159.49 64.63 0.29 Allowed Glycine 0 CA--C 1.533 1.201 0 O-C-N 124.622 1.201 . . . . 0.0 111.074 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.621 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 15.4 mtm180 -51.77 -44.18 90.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 110.335 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.89 56.33 4.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.656 1.872 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.78 -159.92 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.6 1.187 . . . . 0.0 110.919 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.625 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -152.67 153.09 32.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.102 . . . . 0.0 109.145 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -33.3 56.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.89 -44.04 86.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.216 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -65.66 -23.62 66.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.454 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.772 ' O ' HD13 ' A' ' 80' ' ' LEU . 1.6 mp -62.76 -54.65 35.81 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.405 1.066 . . . . 0.0 109.309 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HA ' HD22 ' A' ' 80' ' ' LEU . 33.0 tt0 -64.37 -11.88 36.99 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.572 1.17 . . . . 0.0 110.439 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.721 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -91.75 -71.5 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.411 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.721 ' N ' HG22 ' A' ' 78' ' ' ILE . 5.4 m-20 -86.69 74.45 9.83 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.452 1.095 . . . . 0.0 109.386 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -124.17 142.29 51.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.597 1.186 . . . . 0.0 109.509 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.654 ' HB3' ' C ' ' A' ' 16' ' ' ILE . . . -39.7 -71.03 0.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.411 1.069 . . . . 0.0 109.375 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.95 -166.06 0.28 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.529 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 36.1 m-85 -153.74 -174.93 5.14 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.613 1.196 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -153.57 24.98 0.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.95 -138.41 2.94 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.396 1.06 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -116.63 153.07 32.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.38 0.694 . . . . 0.0 110.147 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.464 ' C ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -143.4 138.21 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 18.0 mt-30 -127.93 153.68 46.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.319 1.012 . . . . 0.0 110.378 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.74 139.97 49.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.171 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 91' ' ' GLU . 5.4 t0 -112.35 -179.53 3.7 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.152 . . . . 0.0 109.243 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -32.51 -46.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.26 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -155.94 66.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 0.0 109.264 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.5 pt20 -176.66 166.99 2.66 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -150.74 127.65 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.702 1.251 . . . . 0.0 109.257 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.64 159.5 27.75 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 39.5 m-85 -121.35 143.0 49.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 86' ' ' GLN . 5.0 p90 -158.56 143.32 16.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.491 ' HB2' HG13 ' A' ' 13' ' ' VAL . 4.2 t80 -110.88 46.86 1.03 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.415 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 11' ' ' ASN . 7.1 t30 . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 10' ' ' ASN . 19.7 m-80 -163.87 -88.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.192 0.932 . . . . 0.0 109.235 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -155.66 150.68 26.57 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.459 1.099 . . . . 0.0 109.139 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.685 HG12 ' HB2' ' A' ' 98' ' ' PHE . 14.4 m -97.16 179.89 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.199 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.506 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -165.47 93.57 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.17 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.83 105.57 2.1 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.464 ' HB ' ' CB ' ' A' ' 82' ' ' SER . 23.1 mm -96.07 124.2 48.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 109.385 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.448 HG22 ' HA ' ' A' ' 80' ' ' LEU . 32.1 pt -148.8 -172.41 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 47' ' ' TYR . 8.2 ptm180 -102.08 172.64 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.665 1.228 . . . . 0.0 110.197 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.553 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -83.82 98.75 9.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.624 1.202 . . . . 0.0 109.315 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.59 -90.27 0.45 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.344 1.028 . . . . 0.0 111.178 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.96 131.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.308 0.651 . . . . 0.0 109.267 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.3 mp 66.81 22.62 10.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.485 1.116 . . . . 0.0 109.375 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG11 HG21 ' A' ' 48' ' ' VAL . 1.4 t -77.94 -9.84 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 O-C-N 124.316 1.01 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -78.38 -58.66 0.78 Allowed Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.44 1.088 . . . . 0.0 110.098 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.7 Cg_endo -75.04 -11.39 21.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.411 1.742 . . . . 0.0 110.86 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.741 HG13 HD11 ' A' ' 63' ' ' LEU . 13.9 t -88.02 -42.84 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.13 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 24' ' ' GLU . 9.3 tp -69.38 -42.86 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 109.232 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.33 -42.54 98.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.394 1.059 . . . . 0.0 110.41 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.5 m -74.6 -30.46 61.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.683 1.239 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.74 -14.99 60.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -88.39 -43.36 11.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.359 1.037 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 28' ' ' GLU . 6.1 pt -63.63 -28.4 44.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.497 1.123 . . . . 0.0 109.213 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -57.26 -44.22 83.72 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.669 1.231 . . . . 0.0 109.186 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -105.32 165.81 12.5 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.386 1.054 . . . . 0.0 109.318 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.83 52.8 3.08 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.68 60.72 1.47 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.595 1.185 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 47.9 1.37 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.526 0.78 . . . . 0.0 109.257 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 179.2 38.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.365 1.041 . . . . 0.0 110.268 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 39' ' ' ILE . 22.7 mm -84.88 151.29 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.367 1.042 . . . . 0.0 109.458 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.425 ' HB ' ' HB3' ' A' ' 51' ' ' ALA . 49.8 m -123.57 111.86 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.349 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 50' ' ' ILE . 42.6 t -109.83 146.13 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 O-C-N 124.303 1.002 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -140.47 82.73 1.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.684 1.24 . . . . 0.0 110.237 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.09 106.52 16.62 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.395 1.059 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 30.5 tpt180 -80.28 -61.28 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.172 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 161.82 -47.43 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.507 1.13 . . . . 0.0 110.476 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.53 -53.39 6.91 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.481 1.113 . . . . 0.0 109.401 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 26.2 m-85 -121.52 171.26 8.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' ' 19' ' ' ALA . 73.3 t -117.71 123.44 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -118.82 111.95 19.08 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.385 1.053 . . . . 0.0 110.227 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 51' ' ' ALA . 4.7 mt -113.18 165.39 8.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.577 1.173 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.491 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -146.88 123.37 11.05 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.459 1.099 . . . . 0.0 109.421 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.96 ' HB1' ' CD2' ' A' ' 56' ' ' LEU . . . -116.51 161.2 19.5 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.555 1.16 . . . . 0.0 109.157 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 13' ' ' VAL . 5.9 pt-20 -58.21 -165.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.1 -82.92 0.04 OUTLIER Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.358 1.036 . . . . 0.0 110.948 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -110.32 145.48 37.39 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.471 0.748 . . . . 0.0 110.348 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.96 ' CD2' ' HB1' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -144.87 172.81 12.51 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.541 1.15 . . . . 0.0 109.384 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -150.87 128.55 2.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.63 1.206 . . . . 0.0 109.282 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 96' ' ' PHE . 8.1 mt -121.66 156.57 32.74 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.491 1.12 . . . . 0.0 109.194 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.7 p -145.2 19.11 1.57 Allowed 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.412 1.07 . . . . 0.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.44 44.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.773 1.296 . . . . 0.0 110.362 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -64.71 -13.74 55.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.7 t -80.44 -41.51 24.35 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.499 1.124 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.882 HD23 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -66.65 -45.06 80.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.393 1.058 . . . . 0.0 109.185 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.882 ' N ' HD23 ' A' ' 63' ' ' LEU . 3.4 mt-10 -66.18 -40.14 90.25 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.398 1.061 . . . . 0.0 110.124 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.1 mt-10 -64.71 -42.36 95.34 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.443 1.089 . . . . 0.0 110.23 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.46 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -61.13 -52.0 66.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.209 -179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 64' ' ' GLU . 30.7 mt -40.62 -29.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.397 1.061 . . . . 0.0 109.241 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.638 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.11 64.99 0.31 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.361 1.038 . . . . 0.0 110.972 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 29.2 mtm180 -52.0 -43.79 90.31 Favored Pre-proline 0 C--N 1.322 -0.612 0 O-C-N 124.748 0.911 . . . . 0.0 110.272 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.22 55.43 4.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.483 1.781 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.73 -168.4 2.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.763 1.29 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.619 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -150.7 167.28 27.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -28.72 47.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.327 1.017 . . . . 0.0 111.0 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -49.67 -40.38 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.379 1.05 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ILE . 2.5 mm-40 -60.75 -47.0 88.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.6 mt -44.39 -45.05 8.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.637 1.21 . . . . 0.0 109.293 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 15.9 tt0 -54.9 -37.12 65.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.714 1.259 . . . . 0.0 110.116 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.737 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -85.4 -41.6 15.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.631 1.207 . . . . 0.0 109.193 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' N ' HG13 ' A' ' 78' ' ' ILE . 6.1 m-80 -77.66 69.16 3.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.198 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -154.65 178.4 10.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.424 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.47 -66.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.185 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.506 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -146.57 -176.23 5.1 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.398 1.061 . . . . 0.0 110.199 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 87' ' ' ILE . 32.7 m-85 -160.82 120.48 2.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.506 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -87.87 46.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 124.374 1.046 . . . . 0.0 109.27 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 160.58 -170.16 36.47 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.488 1.117 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 11.5 mp0 -109.99 126.7 54.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.902 HG21 ' CD2' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -125.46 130.81 72.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.346 1.029 . . . . 0.0 109.192 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.19 162.31 27.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.3 1.0 . . . . 0.0 110.378 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.88 146.75 44.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.239 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.514 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.6 t0 -104.79 -171.96 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.4 pt-20 -29.36 -53.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.363 1.039 . . . . 0.0 110.368 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.406 ' O ' ' CD ' ' A' ' 61' ' ' LYS . 8.2 p-10 -154.12 65.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.381 1.051 . . . . 0.0 109.221 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.499 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -169.44 167.3 10.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.789 1.306 . . . . 0.0 110.195 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.79 120.04 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.91 162.26 18.43 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.577 1.173 . . . . 0.0 110.104 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.902 ' CD2' HG21 ' A' ' 87' ' ' ILE . 6.4 m-85 -130.95 159.54 37.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 29.5 p90 -178.32 138.05 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.682 1.239 . . . . 0.0 111.184 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.685 ' HB2' HG12 ' A' ' 13' ' ' VAL . 49.7 t80 -116.71 93.02 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.323 1.014 . . . . 0.0 111.208 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.514 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.518 ' N ' ' CD2' ' A' ' 98' ' ' PHE . 2.7 m-20 -127.55 -80.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.591 1.182 . . . . 0.0 109.38 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -159.21 157.7 31.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.617 1.198 . . . . 0.0 109.171 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 ' HB3' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -115.18 138.75 44.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.779 1.299 . . . . 0.0 109.296 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.684 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -140.19 86.97 0.2 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 1.008 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.3 Cg_endo -75.21 140.28 24.72 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.521 1.8 . . . . 0.0 110.96 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.008 HD13 ' O ' ' A' ' 15' ' ' PRO . 5.3 mm -130.73 130.61 64.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.429 1.081 . . . . 0.0 109.4 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 16' ' ' ILE . 12.3 pt -160.07 156.74 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' CD ' ' HB3' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -53.78 177.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.376 1.047 . . . . 0.0 110.18 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.016 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -148.39 154.62 40.17 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.38 1.05 . . . . 0.0 109.214 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.25 58.48 0.26 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.457 1.098 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.474 ' O ' HD22 ' A' ' 67' ' ' LEU . 5.3 t0 -170.87 39.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.38 0.694 . . . . 0.0 109.224 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.49 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 1.4 mp 64.6 23.61 12.86 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.65 HG12 HG21 ' A' ' 48' ' ' VAL . 1.4 t -78.26 -10.58 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.387 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.533 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.4 mt-10 -75.55 -58.33 1.44 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.523 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.2 Cg_endo -75.29 -12.28 20.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.935 HG13 HD11 ' A' ' 63' ' ' LEU . 3.9 t -87.45 -46.69 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.654 ' CG1' HD11 ' A' ' 50' ' ' ILE . 5.2 tp -64.92 -37.53 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.404 1.065 . . . . 0.0 109.454 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -68.82 -38.53 79.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.654 1.221 . . . . 0.0 110.241 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.9 m -74.89 -29.28 60.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.187 . . . . 0.0 110.484 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.31 -22.75 61.14 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.471 1.107 . . . . 0.0 109.398 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -80.44 -48.43 12.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.215 0.947 . . . . 0.0 110.255 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.686 HG23 ' O ' ' A' ' 28' ' ' GLU . 4.8 pt -60.09 -30.6 46.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 124.586 1.179 . . . . 0.0 109.464 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.444 ' CB ' ' NH2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -65.33 -44.2 88.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.616 1.197 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.71 164.7 28.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.252 0.97 . . . . 0.0 109.353 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 53.5 3.37 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 39' ' ' ILE . . . -95.35 56.3 1.73 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.125 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 40.93 1.04 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.41 0.712 . . . . 0.0 109.482 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 179.77 54.26 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.238 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 52' ' ' ALA . 1.7 mp -131.95 156.55 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.7 m -117.92 112.89 20.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.699 1.25 . . . . 0.0 110.392 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.428 HG22 HG23 ' A' ' 50' ' ' ILE . 29.8 t -95.69 144.44 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 49' ' ' ARG . 4.1 mm-40 -132.14 76.85 1.72 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -97.21 101.18 12.68 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.701 1.251 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.5 tpt180 -80.41 -56.94 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.415 1.072 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 161.12 -49.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 -50.81 31.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.276 0.985 . . . . 0.0 109.227 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -124.86 167.16 15.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.432 1.082 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.016 HG23 ' HB2' ' A' ' 19' ' ' ALA . 70.8 t -125.69 120.16 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.668 1.23 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -127.31 150.74 49.45 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.343 1.027 . . . . 0.0 110.383 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.654 HD11 ' CG1' ' A' ' 27' ' ' ILE . 14.4 mt -134.14 170.63 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.334 1.022 . . . . 0.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.513 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -149.29 88.05 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.469 1.106 . . . . 0.0 109.231 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.845 ' HB3' HD11 ' A' ' 56' ' ' LEU . . . -97.15 -172.56 2.46 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.521 1.138 . . . . 0.0 109.471 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -78.64 -45.37 21.65 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' HA3' ' CG ' ' A' ' 98' ' ' PHE . . . 151.24 -38.86 0.82 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.389 1.056 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -86.5 101.46 13.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 0.718 . . . . 0.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 52' ' ' ALA . 10.0 mt -137.02 160.36 39.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.332 1.02 . . . . 0.0 109.229 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.744 HD11 ' NE2' ' A' ' 93' ' ' GLN . 0.3 OUTLIER -155.56 129.83 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.699 ' N ' HD13 ' A' ' 57' ' ' ILE . 3.8 mt -131.43 150.12 52.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 p -148.6 18.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.473 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -82.05 50.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.396 1.06 . . . . 0.0 110.288 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -16.25 43.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.646 1.216 . . . . 0.0 109.214 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -82.0 -40.81 21.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.935 HD11 HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.44 -45.12 85.08 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.561 ' N ' HD23 ' A' ' 63' ' ' LEU . 6.5 mt-10 -68.52 -36.83 79.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.259 0.974 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' ARG . 21.0 mt-10 -68.99 -40.05 79.02 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.332 1.02 . . . . 0.0 110.064 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 4.3 mt-30 -61.49 -50.12 74.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 26' ' ' VAL . 61.7 mt -40.58 -31.18 0.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.702 1.251 . . . . 0.0 109.228 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.627 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.93 65.28 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.412 1.07 . . . . 0.0 111.055 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.611 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 12.6 mtp-105 -51.15 -44.46 87.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.64 0.847 . . . . 0.0 110.254 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 19.4 Cg_endo -74.76 57.99 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 111.183 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.654 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.29 -167.68 1.98 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.539 1.15 . . . . 0.0 110.832 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' CE2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -134.27 -175.25 3.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.651 1.219 . . . . 0.0 109.272 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.1 -16.18 57.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.33 -31.21 71.07 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.492 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 1.6 mt-10 -66.84 -33.92 76.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.368 1.042 . . . . 0.0 110.314 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.517 ' O ' HD21 ' A' ' 80' ' ' LEU . 31.6 mt -61.57 -57.68 11.12 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.767 ' HA ' HD11 ' A' ' 80' ' ' LEU . 7.7 pt-20 -65.18 -19.59 66.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 79' ' ' ASN . 1.3 mt -81.75 -62.24 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.672 1.232 . . . . 0.0 109.441 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.512 ' O ' HD23 ' A' ' 80' ' ' LEU . 77.5 m-20 -68.74 67.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.232 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.767 HD11 ' HA ' ' A' ' 77' ' ' GLU . 55.1 mt -123.31 162.59 22.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.362 1.039 . . . . 0.0 109.492 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB3' ' C ' ' A' ' 16' ' ' ILE . . . -126.3 -71.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.87 -178.42 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 109.787 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -167.25 143.14 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 111.051 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.684 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -91.32 -80.55 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.394 1.058 . . . . 0.0 109.216 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.521 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -62.31 -148.37 0.02 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.471 1.107 . . . . 0.0 111.132 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -121.46 157.8 29.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 0.756 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.804 HG22 ' CD1' ' A' ' 96' ' ' PHE . 1.1 pp -125.78 150.75 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.627 1.204 . . . . 0.0 109.196 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -139.18 120.42 14.78 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.556 1.16 . . . . 0.0 110.152 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.8 135.56 44.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.553 1.158 . . . . 0.0 109.548 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 91' ' ' GLU . 10.9 t0 -105.8 179.92 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.667 1.229 . . . . 0.0 109.272 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.29 -44.37 0.13 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.372 1.045 . . . . 0.0 110.143 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -158.11 64.91 0.45 Allowed 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.404 1.065 . . . . 0.0 109.446 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.744 ' NE2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -173.44 163.83 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.334 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.54 124.28 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 155.04 47.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.419 1.074 . . . . 0.0 110.227 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.804 ' CD1' HG22 ' A' ' 87' ' ' ILE . 17.8 m-30 -119.07 138.47 52.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 111.033 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 46.9 p90 -140.54 113.98 8.65 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.631 1.207 . . . . 0.0 110.882 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.569 ' HB3' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -78.35 4.19 13.63 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.688 1.242 . . . . 0.0 110.883 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.187 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . 1.2 m-20 -154.55 -82.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.644 1.215 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.603 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 4.3 p-10 -168.56 142.24 3.1 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.512 1.133 . . . . 0.0 109.185 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 98' ' ' PHE . 4.5 m -95.05 167.59 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.703 1.252 . . . . 0.0 109.38 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.55 ' HA3' ' HB3' ' A' ' 84' ' ' ALA . . . -162.31 73.8 0.19 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.352 1.033 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.887 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.0 Cg_endo -75.12 130.56 13.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.633 1.859 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 15' ' ' PRO . 3.0 mm -124.49 133.51 69.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.0 pt -144.71 171.39 6.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.614 1.196 . . . . 0.0 109.37 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.55 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 4.5 ptt180 -105.96 49.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . . . -66.2 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.55 82.0 0.32 Allowed Glycine 0 CA--C 1.533 1.159 0 O-C-N 124.565 1.166 . . . . 0.0 110.868 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.14 -70.02 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.654 0.855 . . . . 0.0 109.394 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.45 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 28.4 mt -145.22 18.0 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 O-C-N 124.447 1.092 . . . . 0.0 109.174 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.609 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.2 t -79.16 -9.67 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -73.69 -59.34 1.94 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.252 0.97 . . . . 0.0 110.442 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -75.01 -13.03 21.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.629 1.858 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.641 HG13 HD11 ' A' ' 63' ' ' LEU . 3.2 t -87.12 -45.25 16.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 23' ' ' VAL . 6.6 tp -68.06 -35.97 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 O-C-N 124.408 1.068 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.917 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -66.72 -42.16 86.78 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.535 1.147 . . . . 0.0 110.445 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -77.43 -27.5 52.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 110.401 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.45 -17.32 52.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.601 1.188 . . . . 0.0 109.227 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -89.53 -39.27 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.353 1.033 . . . . 0.0 110.395 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.6 pp -67.79 -29.41 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 124.539 1.149 . . . . 0.0 109.448 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -62.39 -24.62 67.48 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.569 1.168 . . . . 0.0 109.086 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.26 155.05 44.16 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.552 1.157 . . . . 0.0 109.227 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.1 56.23 4.24 Favored 'Trans proline' 0 C--N 1.362 1.271 0 O-C-N 124.239 1.652 . . . . 0.0 111.21 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.82 58.91 1.8 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.64 1.213 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 46.12 1.35 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.324 0.661 . . . . 0.0 109.359 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -178.62 50.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -130.11 148.87 33.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.415 1.072 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -116.36 113.22 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.596 1.185 . . . . 0.0 110.462 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.61 HG22 HG23 ' A' ' 50' ' ' ILE . 99.0 t -103.0 129.31 54.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 124.28 0.988 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.88 86.04 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.48 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -97.17 124.89 41.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.389 1.056 . . . . 0.0 109.45 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -95.81 -53.41 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 162.97 -62.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.385 1.053 . . . . 0.0 110.262 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.578 ' C ' ' CD1' ' A' ' 47' ' ' TYR . . . -87.97 11.86 14.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.458 1.098 . . . . 0.0 109.216 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' ' 46' ' ' ALA . 61.6 m-85 -155.22 178.91 9.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.787 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.768 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 71.6 t -156.35 118.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.19 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 36.5 ttt180 -118.26 146.54 44.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.255 0.972 . . . . 0.0 110.372 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.61 HG23 HG22 ' A' ' 41' ' ' VAL . 5.7 mt -130.92 157.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 O-C-N 124.614 1.197 . . . . 0.0 109.389 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.55 124.0 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.404 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' HB1' ' CD2' ' A' ' 56' ' ' LEU . . . -138.78 129.03 25.61 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.619 1.199 . . . . 0.0 109.21 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.22 71.66 7.22 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.664 1.227 . . . . 0.0 110.353 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.29 -90.92 0.13 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.488 1.118 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.79 ' C ' HD22 ' A' ' 56' ' ' LEU . 6.0 pt-20 -179.64 161.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.339 0.67 . . . . 0.0 110.121 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.79 HD22 ' C ' ' A' ' 55' ' ' GLU . 3.4 mm? -141.16 174.13 10.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.227 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pp -148.58 139.75 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.162 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.418 ' HB2' HG23 ' A' ' 94' ' ' ILE . 1.5 mt -125.27 156.54 38.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.217 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.9 p -142.99 15.6 1.91 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 1.15 . . . . 0.0 110.386 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.72 42.05 1.03 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.641 1.213 . . . . 0.0 110.174 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -21.56 25.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.379 1.05 . . . . 0.0 109.166 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -49.79 41.2 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.66 1.225 . . . . 0.0 110.422 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.641 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -59.77 -45.9 90.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.207 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.828 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -65.26 -41.34 94.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.349 1.031 . . . . 0.0 110.314 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' ARG . 14.0 mt-10 -63.91 -43.01 97.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 110.13 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.505 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.2 mt-30 -61.07 -52.45 64.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.348 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.828 HD12 ' HA ' ' A' ' 64' ' ' GLU . 13.2 mt -40.41 -29.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.172 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -158.4 66.7 0.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.651 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 7.2 mtp180 -55.31 -42.52 96.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.399 0.706 . . . . 0.0 110.236 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.02 3.6 5.49 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.302 1.685 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.747 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -98.22 -177.97 3.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.395 1.059 . . . . 0.0 111.162 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.614 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -140.84 166.1 25.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -15.92 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -30.97 70.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.403 1.064 . . . . 0.0 110.204 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' ASN . 0.6 OUTLIER -71.95 -28.65 63.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.17 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.42 -48.03 79.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.529 ' O ' HD21 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -73.72 -25.08 60.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.207 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.668 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -80.49 -65.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.659 1.224 . . . . 0.0 109.326 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.668 ' N ' HG22 ' A' ' 78' ' ' ILE . 2.4 m-20 -70.5 86.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.596 1.185 . . . . 0.0 109.198 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.529 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -148.95 167.7 25.06 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.435 1.084 . . . . 0.0 109.231 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.56 -72.03 0.7 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.607 1.192 . . . . 0.0 109.421 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -147.67 -175.1 4.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.589 1.181 . . . . 0.0 110.025 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 82' ' ' SER . 45.9 m-85 -166.26 125.6 1.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.283 0.989 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.55 ' HB3' ' HA3' ' A' ' 14' ' ' GLY . . . -101.87 37.26 1.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.412 1.07 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.43 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -174.97 -152.77 9.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.528 1.143 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -126.07 165.08 19.5 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.364 0.685 . . . . 0.0 110.271 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 94' ' ' ILE . 16.0 tt -143.55 159.93 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -152.88 176.44 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 110.257 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.31 154.42 34.54 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.632 1.208 . . . . 0.0 109.207 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 10.6 t0 -120.12 -172.2 2.3 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.549 1.156 . . . . 0.0 109.211 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.6 pt-20 -31.65 -53.21 0.25 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.593 1.183 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.61 60.85 0.81 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.636 1.21 . . . . 0.0 109.414 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.471 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -162.43 168.7 21.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.327 1.017 . . . . 0.0 110.337 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 87' ' ' ILE . 2.3 tt -133.98 120.36 35.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -106.61 160.91 15.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.402 1.064 . . . . 0.0 110.459 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.604 ' CZ ' HD12 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -141.92 144.81 33.96 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.4 1.063 . . . . 0.0 110.958 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 55' ' ' GLU . 11.9 p90 -176.15 158.73 1.99 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.725 1.265 . . . . 0.0 110.776 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.685 ' HB2' HG13 ' A' ' 13' ' ' VAL . 59.7 t80 -106.66 87.87 2.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.458 1.098 . . . . 0.0 109.351 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.3 t30 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -173.29 -88.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.579 1.174 . . . . 0.0 109.189 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -157.28 134.35 10.27 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.437 1.086 . . . . 0.0 109.163 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.596 HG12 ' CD1' ' A' ' 98' ' ' PHE . 21.5 m -104.73 177.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 124.575 1.172 . . . . 0.0 109.407 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.586 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -168.92 94.37 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.196 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 18.1 Cg_endo -75.02 127.25 10.52 Favored 'Trans proline' 0 C--N 1.356 0.955 0 O-C-N 124.466 1.771 . . . . 0.0 110.999 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 15.9 mm -114.05 128.4 71.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.651 1.219 . . . . 0.0 109.351 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 16' ' ' ILE . 43.9 pt -152.71 175.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 124.67 1.231 . . . . 0.0 109.138 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -82.34 165.76 20.06 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -102.27 144.86 30.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.722 1.264 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.94 -80.43 1.21 Allowed Glycine 0 CA--C 1.532 1.135 0 O-C-N 124.595 1.184 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.69 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 0.775 . . . . 0.0 109.243 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.537 HD23 ' HG2' ' A' ' 25' ' ' PRO . 1.7 mt -108.36 17.21 22.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.111 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.741 HG11 HG21 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -82.38 -12.32 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 124.269 0.981 . . . . 0.0 109.206 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -78.95 -54.87 1.0 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.73 1.269 . . . . 0.0 110.361 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.537 ' HG2' HD23 ' A' ' 22' ' ' LEU . 18.8 Cg_endo -75.07 -13.63 21.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.644 1.865 . . . . 0.0 110.977 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.811 ' CG1' HD21 ' A' ' 63' ' ' LEU . 9.0 t -88.1 -47.52 15.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.435 1.084 . . . . 0.0 109.177 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.575 HD11 HD11 ' A' ' 50' ' ' ILE . 7.8 tp -62.74 -34.9 68.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -69.13 -50.43 47.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.579 1.174 . . . . 0.0 110.13 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 m -69.94 -21.85 63.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.96 -18.02 41.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.636 1.21 . . . . 0.0 109.107 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' ASN . 39.2 mm-40 -84.86 -38.42 19.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.405 1.066 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.636 ' C ' HD12 ' A' ' 32' ' ' ILE . 1.2 pp -71.42 -38.96 70.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.58 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -53.35 -27.2 22.41 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -115.41 157.86 42.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 124.559 1.162 . . . . 0.0 109.38 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 55.2 3.94 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.35 55.48 2.07 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.534 1.146 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.53 46.42 1.38 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 0.731 . . . . 0.0 109.295 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.98 50.79 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 124.297 0.998 . . . . 0.0 110.306 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.737 HG12 ' HB2' ' A' ' 52' ' ' ALA . 1.3 mp -132.82 127.86 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.642 1.214 . . . . 0.0 109.185 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -95.27 114.2 25.95 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.384 1.053 . . . . 0.0 110.294 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.98 142.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -132.08 69.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.133 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.77 ' OD1' HG13 ' A' ' 48' ' ' VAL . 72.1 m-20 -92.43 110.23 21.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.623 1.202 . . . . 0.0 109.239 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 3.9 tpt180 -82.88 -57.67 3.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.353 1.033 . . . . 0.0 110.188 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER 161.87 -48.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.38 1.05 . . . . 0.0 110.332 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.69 -26.71 37.36 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 109.39 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -138.92 167.1 22.79 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 111.194 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.77 HG13 ' OD1' ' A' ' 43' ' ' ASP . 52.1 t -130.11 115.75 34.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.573 1.17 . . . . 0.0 109.208 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 16.1 ttp-105 -121.0 152.16 38.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.249 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.575 HD11 HD11 ' A' ' 27' ' ' ILE . 6.5 mt -136.35 166.43 26.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.608 1.193 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.412 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -146.85 116.18 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.755 1.284 . . . . 0.0 109.23 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.737 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -131.04 -170.2 2.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.638 1.211 . . . . 0.0 109.139 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -25.95 34.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.451 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . 94.78 58.54 1.18 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.622 1.201 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.734 ' H ' HD22 ' A' ' 56' ' ' LEU . 13.0 pt-20 -176.7 53.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.734 HD22 ' H ' ' A' ' 55' ' ' GLU . 2.3 mm? -116.44 -179.04 3.56 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.623 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -149.91 150.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.625 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -139.2 153.08 47.84 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.322 1.014 . . . . 0.0 109.412 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.7 p -143.64 14.57 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.36 1.038 . . . . 0.0 110.465 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 48.01 1.56 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.72 1.262 . . . . 0.0 110.233 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -21.14 66.16 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.617 1.198 . . . . 0.0 109.22 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 t -73.44 -35.97 65.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.811 HD21 ' CG1' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -75.93 -40.34 54.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.306 1.004 . . . . 0.0 109.325 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.597 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -71.61 -27.12 62.9 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.819 1.325 . . . . 0.0 110.506 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -38.5 55.22 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.611 1.194 . . . . 0.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.465 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -68.25 -48.41 65.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.779 HD11 HG11 ' A' ' 26' ' ' VAL . 56.7 mt -43.46 -27.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.323 1.014 . . . . 0.0 109.196 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.45 65.03 0.32 Allowed Glycine 0 CA--C 1.526 0.746 0 O-C-N 124.703 1.252 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.64 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 11.4 mtp-105 -54.35 -43.23 97.34 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 124.452 0.736 . . . . 0.0 110.199 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.9 Cg_endo -74.94 58.71 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.591 1.837 . . . . 0.0 111.087 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.794 ' HE2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -155.68 -159.34 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.609 1.193 . . . . 0.0 111.063 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.58 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.05 -156.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.2 mtt -89.91 -40.63 12.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.437 1.086 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.32 -33.44 42.53 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.661 1.226 . . . . 0.0 110.377 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.468 ' OE2' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -69.72 -25.43 63.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.794 HD21 ' HE2' ' A' ' 71' ' ' PHE . 74.9 mt -65.83 -52.88 46.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.499 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -70.84 -14.55 62.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 110.357 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.66 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -90.35 -64.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.66 ' N ' HG22 ' A' ' 78' ' ' ILE . 8.7 m-80 -73.01 68.74 0.94 Allowed 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 124.635 1.209 . . . . 0.0 109.436 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -137.46 162.34 33.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.277 0.986 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.95 -56.22 2.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.63 1.206 . . . . 0.0 109.438 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.33 -168.39 0.71 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.333 1.021 . . . . 0.0 110.043 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -170.46 118.12 0.53 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.311 1.007 . . . . 0.0 110.986 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.586 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -88.28 13.33 11.79 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.526 1.141 . . . . 0.0 109.115 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 98' ' ' PHE . . . -148.51 -168.5 14.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -116.44 144.16 44.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 0.739 . . . . 0.0 110.399 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.594 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 30.5 pt -125.97 136.43 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -125.72 119.47 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 110.128 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.3 142.81 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -120.81 -176.15 3.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.281 0.988 . . . . 0.0 109.194 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -29.89 -55.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.383 1.052 . . . . 0.0 110.328 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -151.8 63.7 0.86 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.241 0.963 . . . . 0.0 109.408 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.481 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 10.1 pt20 -174.97 173.92 2.59 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.557 1.161 . . . . 0.0 110.232 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.6 tt -152.1 119.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.385 1.053 . . . . 0.0 109.473 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.86 145.55 35.12 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.17 . . . . 0.0 110.228 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.522 ' CG ' HG22 ' A' ' 87' ' ' ILE . 4.4 m-85 -108.65 118.74 37.57 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.691 1.244 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 19.8 p90 -130.84 164.37 25.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.596 ' CD1' HG12 ' A' ' 13' ' ' VAL . 1.9 t80 -141.07 110.85 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.109 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 17.6 m-20 -151.88 -54.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.759 1.287 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' ALA . 21.6 p-10 179.99 147.79 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.356 1.035 . . . . 0.0 109.197 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.528 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -106.8 129.75 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.308 1.005 . . . . 0.0 109.103 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.9 76.79 0.34 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.525 1.141 . . . . 0.0 111.163 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 83' ' ' PHE . 18.6 Cg_endo -75.01 114.05 3.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.519 HG22 ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -109.38 124.31 65.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 O-C-N 124.602 1.189 . . . . 0.0 109.181 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.0 pt -146.63 168.48 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.706 1.253 . . . . 0.0 109.387 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -82.54 -176.39 6.22 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.551 1.157 . . . . 0.0 110.419 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.91 155.17 32.39 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.672 1.233 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.24 -55.09 0.12 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.346 1.029 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.4 t0 179.84 163.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.399 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.481 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 2.2 mm? 66.24 10.64 7.31 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.01 HG11 HG21 ' A' ' 48' ' ' VAL . 2.1 t -80.39 -10.03 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.8 mt-10 -77.25 -57.03 1.14 Allowed Pre-proline 0 N--CA 1.452 -0.332 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.1 Cg_endo -75.13 -13.27 21.2 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.506 1.792 . . . . 0.0 110.82 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.095 HG22 HD11 ' A' ' 63' ' ' LEU . 3.3 t -88.49 -46.35 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 23' ' ' VAL . 2.8 tp -68.74 -26.79 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -82.47 -34.47 28.07 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m -82.48 -22.48 35.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.44 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.45 -34.69 41.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.301 1.001 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.87 -45.9 73.22 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 124.663 1.227 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.641 HG23 ' O ' ' A' ' 28' ' ' GLU . 22.4 pt -60.77 -39.41 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -53.12 -24.18 9.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.48 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.45 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -122.93 175.48 2.67 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.413 1.07 . . . . 0.0 109.23 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 17.7 Cg_endo -75.34 80.58 2.47 Favored 'Trans proline' 0 C--N 1.362 1.283 0 O-C-N 124.504 1.792 . . . . 0.0 110.908 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.551 ' HA2' HD13 ' A' ' 39' ' ' ILE . . . -88.97 34.81 3.81 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.479 1.112 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.09 23.05 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 0.798 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.594 ' C ' HD12 ' A' ' 39' ' ' ILE . 4.8 pt-20 -178.74 50.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.356 1.035 . . . . 0.0 110.178 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 38' ' ' GLU . 1.6 mp -137.09 150.72 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.387 1.054 . . . . 0.0 109.169 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.5 m -124.99 115.17 20.13 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.625 1.203 . . . . 0.0 110.472 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.539 HG12 ' OD1' ' A' ' 43' ' ' ASP . 58.3 t -98.58 143.72 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.199 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.57 81.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.215 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.539 ' OD1' HG12 ' A' ' 41' ' ' VAL . 3.1 m-20 -93.44 103.69 15.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.304 1.002 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -81.02 -54.44 5.55 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.429 1.081 . . . . 0.0 110.255 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 5.5 mtt180 162.01 -50.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.62 -54.15 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.366 1.042 . . . . 0.0 109.073 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -105.56 162.81 13.17 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.451 1.094 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.01 HG21 HG11 ' A' ' 23' ' ' VAL . 11.6 t -133.61 114.62 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 124.662 1.226 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -118.8 163.73 16.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.224 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 51' ' ' ALA . 8.7 mt -139.21 171.43 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.044 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -152.46 123.93 7.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.9 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -134.72 174.01 11.05 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.624 1.203 . . . . 0.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -57.84 -21.4 42.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.735 1.272 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.93 37.39 0.58 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -176.55 122.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.9 HD11 ' HB2' ' A' ' 52' ' ' ALA . 24.4 mt -148.69 167.38 25.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -150.69 125.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.725 1.266 . . . . 0.0 109.259 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.99 152.26 36.71 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.568 1.167 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 p -140.94 22.54 2.27 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.567 1.167 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.686 ' HD3' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -85.68 45.05 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.285 0.991 . . . . 0.0 110.35 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -13.44 62.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.14 . . . . 0.0 109.219 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 t -86.6 -33.77 20.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.095 HD11 HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -80.87 -36.01 31.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.624 1.202 . . . . 0.0 109.204 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.501 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.69 -30.24 62.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -73.66 -37.81 65.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.511 1.132 . . . . 0.0 110.486 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.7 mt-30 -66.26 -49.59 66.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 mt -42.28 -28.27 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 0.0 109.165 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.611 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.23 65.38 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 16.2 mtp-105 -53.91 -43.28 96.32 Favored Pre-proline 0 N--CA 1.452 -0.334 0 O-C-N 124.595 0.821 . . . . 0.0 110.442 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.2 Cg_endo -74.9 63.43 5.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.393 1.733 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.83 -162.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 110.822 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -150.07 -163.47 1.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -14.43 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.347 1.029 . . . . 0.0 110.942 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.26 -43.19 99.4 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.74 -21.85 62.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.589 1.181 . . . . 0.0 110.104 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.625 ' O ' HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -65.13 -41.54 94.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.147 . . . . 0.0 109.22 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 12.0 tt0 -89.0 -14.66 36.01 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.667 1.229 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.17 -18.82 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 O-C-N 124.386 1.054 . . . . 0.0 109.622 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.69 ' O ' HD23 ' A' ' 80' ' ' LEU . 48.1 m-20 -97.26 70.77 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.178 . . . . 0.0 109.138 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 79' ' ' ASN . 1.5 mt -135.06 169.04 18.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.652 1.22 . . . . 0.0 109.424 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.519 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -134.13 -47.51 0.78 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.693 1.246 . . . . 0.0 109.473 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.48 -179.47 1.55 Allowed 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.556 1.16 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 1.7 t80 -172.35 150.56 2.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.344 1.027 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.32 -44.6 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.29 -148.82 24.76 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -112.97 166.96 10.92 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.584 0.814 . . . . 0.0 110.078 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.561 HG13 ' CZ ' ' A' ' 83' ' ' PHE . 4.7 mp -123.75 151.32 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.177 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -168.96 127.01 1.01 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.824 ' HB1' ' O ' ' A' ' 93' ' ' GLN . . . -107.42 170.65 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.508 ' CB ' ' OE1' ' A' ' 93' ' ' GLN . 3.6 t70 -119.44 -171.62 2.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.607 1.192 . . . . 0.0 109.448 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.6 pt-20 -32.65 -55.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.773 1.296 . . . . 0.0 110.419 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -148.57 61.79 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.668 1.23 . . . . 0.0 109.247 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.824 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 5.5 pt20 -164.86 173.98 11.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.766 HD11 ' CZ ' ' A' ' 96' ' ' PHE . 0.9 OUTLIER -135.37 120.81 29.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.424 1.078 . . . . 0.0 109.224 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.526 ' HE ' ' NE2' ' A' ' 93' ' ' GLN . 89.9 mtt180 -116.75 147.49 41.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 94' ' ' ILE . 22.9 m-85 -125.32 142.01 51.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.64 1.213 . . . . 0.0 111.018 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CA ' HG11 ' A' ' 13' ' ' VAL . 2.6 p90 -157.97 156.72 31.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.343 1.027 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 11' ' ' ASN . 74.9 t80 -117.0 92.74 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 111.066 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 6.8 m-20 -179.54 -78.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -177.3 139.36 0.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -104.29 135.19 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.259 0.974 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.658 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -121.53 76.35 0.34 Allowed Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.454 1.096 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.888 ' O ' HD13 ' A' ' 16' ' ' ILE . 19.2 Cg_endo -75.06 140.12 24.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.598 1.841 . . . . 0.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 15' ' ' PRO . 4.6 mm -127.68 138.34 55.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.72 1.262 . . . . 0.0 109.284 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -144.0 177.68 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.625 1.203 . . . . 0.0 109.235 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ALA . 4.2 ptm180 -108.28 57.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.541 ' HB3' HG23 ' A' ' 48' ' ' VAL . . . -38.74 156.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.41 1.069 . . . . 0.0 109.301 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.35 -73.56 0.66 Allowed Glycine 0 CA--C 1.532 1.142 0 O-C-N 124.406 1.066 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -171.93 33.17 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.403 0.707 . . . . 0.0 109.473 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 26.9 mt -149.58 19.17 0.92 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.129 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.593 HG11 HG21 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -84.91 -15.47 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.8 mt-10 -71.95 -55.97 4.92 Favored Pre-proline 0 C--N 1.328 -0.367 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -75.13 -17.81 18.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.653 1.87 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.785 HG13 HD21 ' A' ' 63' ' ' LEU . 4.7 t -81.66 -41.36 18.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 24' ' ' GLU . 2.3 tp -69.29 -38.91 78.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 O-C-N 124.587 1.179 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -61.39 -40.83 95.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.728 1.268 . . . . 0.0 110.491 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 m -80.03 -28.47 39.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.649 1.218 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.82 -14.1 58.92 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.598 1.187 . . . . 0.0 109.333 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.93 -40.94 14.36 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.426 1.079 . . . . 0.0 110.156 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' GLU . 7.8 pt -64.7 -36.82 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.23 -32.28 73.81 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.673 1.233 . . . . 0.0 109.24 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 57' ' ' ILE . 1.5 t-20 -94.51 133.79 26.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.347 1.03 . . . . 0.0 109.195 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 0.3 9.03 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.581 1.832 . . . . 0.0 110.785 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.05 53.33 4.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 67.26 0.22 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -179.76 52.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 40' ' ' THR . 12.2 mt -117.05 158.11 17.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.578 1.174 . . . . 0.0 109.466 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.408 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 3.7 m -113.84 112.87 24.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.474 HG22 HG23 ' A' ' 50' ' ' ILE . 60.1 t -99.48 144.49 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.468 1.105 . . . . 0.0 109.428 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -131.15 115.53 16.51 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -108.3 121.92 45.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.483 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 19.9 tpt85 -88.06 -42.5 12.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.604 1.19 . . . . 0.0 110.195 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 3.8 mtt180 159.66 -72.46 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.715 1.26 . . . . 0.0 110.29 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.39 -50.79 11.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 3.7 m-30 -103.24 165.13 11.21 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.593 HG21 HG11 ' A' ' 23' ' ' VAL . 44.2 t -135.41 149.38 28.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.614 1.196 . . . . 0.0 109.179 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -139.31 157.92 45.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 51' ' ' ALA . 18.9 mt -129.49 169.28 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.71 1.257 . . . . 0.0 109.308 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.526 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -149.57 95.01 2.28 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.288 0.993 . . . . 0.0 109.446 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.125 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -101.9 177.79 4.8 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.527 1.142 . . . . 0.0 109.114 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -65.05 -26.9 68.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.579 1.174 . . . . 0.0 110.4 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.32 -56.72 0.52 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -92.3 134.89 34.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 0.827 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.125 HD11 ' CB ' ' A' ' 52' ' ' ALA . 70.7 mt -148.75 159.83 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.363 1.04 . . . . 0.0 109.295 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' O ' HD12 ' A' ' 57' ' ' ILE . 2.7 pp -140.45 129.5 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.642 1.213 . . . . 0.0 109.429 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -129.93 140.55 50.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 109.444 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.5 p -129.91 7.58 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 110.32 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.91 44.98 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 110.238 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -20.13 55.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.373 1.046 . . . . 0.0 109.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 63' ' ' LEU . 13.5 t -71.65 -48.89 44.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.301 1.001 . . . . 0.0 110.219 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.785 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.42 -44.28 97.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.627 1.204 . . . . 0.0 109.219 -179.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' N ' HD23 ' A' ' 63' ' ' LEU . 1.7 mm-40 -68.6 -33.35 73.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' ARG . 18.6 mt-10 -71.17 -40.73 71.09 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -63.69 -50.4 69.35 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.385 1.053 . . . . 0.0 110.474 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 26' ' ' VAL . 80.5 mt -42.98 -27.9 0.22 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.486 1.116 . . . . 0.0 109.396 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.631 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.45 65.42 0.3 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.754 1.284 . . . . 0.0 110.958 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 40.5 mtm180 -54.0 -43.92 97.51 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.454 0.737 . . . . 0.0 110.35 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.8 Cg_endo -74.78 62.09 5.6 Favored 'Trans proline' 0 C--N 1.357 1.007 0 O-C-N 124.429 1.752 . . . . 0.0 111.155 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CZ ' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.03 -174.63 4.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.409 1.068 . . . . 0.0 111.079 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.443 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -170.6 -169.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.227 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -41.94 -70.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.631 1.207 . . . . 0.0 110.95 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 73' ' ' MET . 0.8 OUTLIER -36.32 -52.49 0.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.743 1.277 . . . . 0.0 110.243 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -41.15 95.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.728 HD11 ' CZ ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -52.98 -52.56 57.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.526 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -14.52 62.99 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.606 1.191 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.556 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -88.47 -58.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.523 1.139 . . . . 0.0 109.435 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.556 ' N ' HG22 ' A' ' 78' ' ' ILE . 2.5 m-80 -70.16 77.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.258 0.974 . . . . 0.0 109.23 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -164.53 166.64 20.19 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.562 1.163 . . . . 0.0 109.222 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.47 -73.12 0.67 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.093 . . . . 0.0 109.393 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.13 -168.84 3.19 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.685 1.241 . . . . 0.0 110.018 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.698 ' CE1' HG22 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -178.49 106.83 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.57 1.169 . . . . 0.0 111.225 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.658 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -53.44 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.514 1.134 . . . . 0.0 109.204 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.404 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -67.95 -167.06 3.77 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.422 1.076 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . 4.5 mt-30 -93.7 174.99 6.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.662 0.86 . . . . 0.0 110.253 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.698 HG22 ' CE1' ' A' ' 83' ' ' PHE . 18.1 pt -135.93 147.39 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.195 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -141.75 159.95 41.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.482 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.95 140.5 22.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.601 1.188 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -108.98 -168.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.0 pt-20 -30.23 -59.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.644 1.215 . . . . 0.0 110.253 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -148.23 61.04 1.11 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.72 1.263 . . . . 0.0 109.221 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.482 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.8 pt20 -161.16 162.94 31.52 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.423 1.077 . . . . 0.0 110.238 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -137.36 119.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 109.478 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.59 140.63 52.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 94' ' ' ILE . 17.4 m-85 -107.36 157.75 17.71 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.6 ' O ' ' CD1' ' A' ' 97' ' ' TYR . 40.7 p90 -165.98 124.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.347 1.029 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 11' ' ' ASN . 1.1 t80 -78.69 -10.75 59.87 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.573 1.171 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.724 1.265 . . . . 0.0 109.344 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -171.06 -88.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.741 1.276 . . . . 0.0 109.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -156.59 128.1 7.11 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.404 1.065 . . . . 0.0 109.418 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.987 HG23 ' HB3' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -101.65 141.63 17.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.608 1.192 . . . . 0.0 109.412 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.88 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -133.08 86.98 0.27 Allowed Glycine 0 CA--C 1.527 0.842 0 O-C-N 124.476 1.11 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.682 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.2 Cg_endo -74.94 127.33 10.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.306 1.688 . . . . 0.0 110.932 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 15' ' ' PRO . 6.3 mm -118.4 117.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.9 pt -137.82 168.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 124.637 1.211 . . . . 0.0 109.32 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -54.29 179.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.577 1.173 . . . . 0.0 110.563 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -117.93 172.01 7.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 109.389 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.17 -100.7 0.2 Allowed Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.582 1.176 . . . . 0.0 110.78 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.85 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.594 HD23 ' HG2' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -89.77 15.41 9.76 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.504 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.1 t -80.37 -9.99 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.391 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.518 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.5 mt-10 -75.42 -57.65 1.61 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.594 ' HG2' HD23 ' A' ' 22' ' ' LEU . 18.8 Cg_endo -75.11 -15.14 20.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.985 HG13 HD21 ' A' ' 63' ' ' LEU . 3.5 t -84.86 -47.74 16.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.581 1.176 . . . . 0.0 109.512 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' VAL . 9.8 tp -64.3 -41.62 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.668 1.23 . . . . 0.0 109.337 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.619 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -60.29 -44.87 95.0 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.321 1.013 . . . . 0.0 110.327 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -69.99 -34.57 73.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.28 73.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -70.56 -48.94 52.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.593 1.183 . . . . 0.0 110.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.2 pt -68.01 -10.65 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.332 1.02 . . . . 0.0 109.086 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -87.25 -10.1 53.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.561 1.163 . . . . 0.0 109.23 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -126.77 155.99 74.36 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.552 1.157 . . . . 0.0 109.167 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -1.99 11.95 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.43 52.99 4.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.103 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 63.05 0.21 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.508 0.77 . . . . 0.0 109.347 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -178.91 56.05 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 52' ' ' ALA . 20.7 mm -113.53 153.16 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.6 m -114.64 112.69 23.28 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.662 1.226 . . . . 0.0 110.401 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 50' ' ' ILE . 41.0 t -99.66 149.89 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.64 1.212 . . . . 0.0 109.126 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -137.71 92.24 2.66 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.621 1.2 . . . . 0.0 110.264 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -90.56 109.15 20.31 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.455 1.097 . . . . 0.0 109.416 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -71.98 0.47 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.332 1.02 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 168.51 -45.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.199 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.28 -33.84 25.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.445 1.091 . . . . 0.0 109.397 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -144.16 168.9 18.94 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.714 1.259 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 19' ' ' ALA . 71.5 t -122.17 128.65 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.12 145.7 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 51' ' ' ALA . 7.7 mt -125.47 170.42 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.189 . . . . 0.0 109.098 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.525 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -138.48 99.41 3.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.987 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -100.37 169.31 9.19 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.609 1.193 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -46.7 46.68 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.339 1.024 . . . . 0.0 110.188 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.49 -74.51 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.248 0.967 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.445 ' O ' HD23 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -93.82 115.61 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 0.749 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.803 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 20.5 mt -147.87 -176.66 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.513 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -148.2 159.29 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.435 1.085 . . . . 0.0 109.429 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 57' ' ' ILE . 19.2 mt -144.21 131.36 20.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.61 1.194 . . . . 0.0 109.335 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.5 p -124.6 25.43 7.54 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.369 1.043 . . . . 0.0 110.395 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.552 ' HD3' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -88.52 29.7 0.97 Allowed 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.189 -179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -29.04 66.29 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.9 t -70.75 -44.58 66.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.825 1.328 . . . . 0.0 110.482 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.985 HD21 HG13 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -66.54 -38.58 87.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -21.75 51.36 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.9 -38.45 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.683 1.239 . . . . 0.0 110.409 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.409 ' C ' ' N ' ' A' ' 68' ' ' GLY . 0.3 OUTLIER -71.15 -47.05 60.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.206 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.533 HD11 HG21 ' A' ' 26' ' ' VAL . 31.4 mt -43.66 -27.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.325 1.015 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.69 64.93 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.298 0.998 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.62 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 11.1 mtt180 -50.54 -44.27 82.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.499 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.7 Cg_endo -74.94 63.03 5.91 Favored 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.552 1.817 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.84 ' HE2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.5 -155.02 0.41 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.386 1.054 . . . . 0.0 110.976 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.89 -177.29 6.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 109.519 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.411 ' O ' ' OE1' ' A' ' 77' ' ' GLU . 2.7 mtt -90.27 -41.12 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.351 1.032 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 5.3 tt0 -53.72 -23.09 10.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.614 1.196 . . . . 0.0 110.247 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 2.1 pt-20 -86.03 -10.05 55.7 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.61 1.194 . . . . 0.0 110.177 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.84 HD21 ' HE2' ' A' ' 71' ' ' PHE . 89.8 mt -78.39 -53.46 7.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.437 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.668 ' O ' HD23 ' A' ' 80' ' ' LEU . 1.1 pm0 -50.45 -65.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.318 1.011 . . . . 0.0 110.304 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.418 ' H ' HG23 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -50.26 -22.58 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 1.2 m-80 -87.96 67.74 9.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 77' ' ' GLU . 4.0 pp -141.07 150.25 42.69 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.381 1.051 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.09 -44.98 5.3 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.382 1.051 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.07 178.27 2.98 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.334 1.021 . . . . 0.0 109.827 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -158.94 176.96 11.66 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.88 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -141.72 19.31 2.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.1 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.64 -165.03 25.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.627 1.205 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -102.79 152.19 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.553 0.796 . . . . 0.0 110.133 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 87' ' ' ILE . 1.2 pp -143.21 130.62 18.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.129 . . . . 0.0 109.499 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -129.67 163.19 26.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.376 1.048 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.31 147.49 46.95 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -112.45 -175.47 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -29.28 -52.99 0.12 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 124.38 1.05 . . . . 0.0 110.364 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -155.9 66.25 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -176.4 169.8 2.62 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.529 HD11 ' HE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -132.11 129.17 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.683 1.239 . . . . 0.0 109.371 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.79 167.15 11.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.629 1.206 . . . . 0.0 110.456 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CE2' ' CG2' ' A' ' 87' ' ' ILE . 4.2 m-85 -137.68 142.35 41.1 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.552 1.157 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 2.9 p90 -160.5 104.85 1.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.311 1.007 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.732 ' HB2' HG13 ' A' ' 13' ' ' VAL . 6.2 t80 -45.94 -32.34 2.66 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.576 1.172 . . . . 0.0 111.171 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.555 0 O-C-N 124.522 1.139 . . . . 0.0 109.442 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.599 ' HA ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 m120 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -134.75 -75.75 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.341 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -149.46 144.52 26.38 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.058 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 2.6 m -90.52 132.13 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 O-C-N 124.256 0.973 . . . . 0.0 109.209 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.816 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -132.72 80.17 0.33 Allowed Glycine 0 CA--C 1.528 0.851 0 O-C-N 124.593 1.183 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.729 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.2 Cg_endo -75.14 132.85 15.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.38 1.726 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 15' ' ' PRO . 13.1 mm -122.63 85.68 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.427 1.08 . . . . 0.0 109.351 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.8 pt -105.64 173.75 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 O-C-N 124.389 1.056 . . . . 0.0 109.259 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.95 172.04 12.35 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.67 149.78 23.79 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.707 1.254 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.96 -95.99 0.52 Allowed Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -179.05 149.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.577 0.81 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 5.7 mp 67.09 18.01 10.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 109.1 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.484 HG11 HG21 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -78.17 -13.74 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.529 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -73.75 -58.65 2.12 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 110.117 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.5 Cg_endo -75.0 -10.83 21.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.416 1.745 . . . . 0.0 111.004 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.815 HG13 HD21 ' A' ' 63' ' ' LEU . 9.4 t -89.15 -43.36 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 O-C-N 124.314 1.009 . . . . 0.0 109.423 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.746 HD11 HD13 ' A' ' 50' ' ' ILE . 5.2 tp -66.82 -32.92 60.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.578 1.174 . . . . 0.0 109.36 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.92 -46.4 62.56 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.396 1.06 . . . . 0.0 110.359 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m -69.94 -29.99 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.355 1.034 . . . . 0.0 110.406 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.63 -19.58 59.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.204 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' ASN . 74.1 mt-10 -82.82 -45.24 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.07 . . . . 0.0 110.351 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 28' ' ' GLU . 5.9 pt -62.22 -28.02 43.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.635 1.209 . . . . 0.0 109.352 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -54.68 -37.91 66.33 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.402 1.064 . . . . 0.0 109.326 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -114.8 158.77 39.65 Favored Pre-proline 0 C--N 1.329 -0.326 0 O-C-N 124.63 1.206 . . . . 0.0 109.162 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 44.21 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.541 1.811 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 34' ' ' ASN . . . -95.77 59.08 1.52 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.358 1.036 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 54.41 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.562 0.801 . . . . 0.0 109.199 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.22 49.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.68 1.237 . . . . 0.0 110.194 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.7 mt -116.49 130.91 70.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 124.746 1.279 . . . . 0.0 109.24 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.6 m -103.14 126.62 50.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.627 1.204 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.899 HG22 HG23 ' A' ' 50' ' ' ILE . 39.5 t -116.37 145.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.253 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.0 96.38 3.63 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.04 107.7 19.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -82.96 -73.13 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.427 1.079 . . . . 0.0 110.169 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.01 -47.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 110.228 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.46 -27.67 29.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -149.3 163.34 37.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.484 HG21 HG11 ' A' ' 23' ' ' VAL . 10.2 t -122.07 125.09 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -120.62 149.0 43.15 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.604 1.19 . . . . 0.0 110.208 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.899 HG23 HG22 ' A' ' 41' ' ' VAL . 7.7 mt -130.32 169.41 21.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.554 1.159 . . . . 0.0 109.372 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.5 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -144.71 93.18 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.058 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . . . -100.24 177.23 5.12 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.271 0.982 . . . . 0.0 109.374 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.74 -37.65 73.47 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.53 1.144 . . . . 0.0 110.488 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.733 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . 136.54 -56.08 0.7 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.77 97.08 10.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.578 0.81 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.995 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 9.1 mt -144.96 175.4 10.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.721 1.263 . . . . 0.0 109.423 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.438 HG23 ' C ' ' A' ' 56' ' ' LEU . 1.7 pp -152.84 143.16 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 94' ' ' ILE . 3.3 mt -127.44 144.56 51.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.9 p -137.8 11.75 2.91 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 110.546 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.64 46.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.208 . . . . 0.0 110.312 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -20.1 65.08 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.331 1.019 . . . . 0.0 109.381 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -43.78 59.84 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.718 1.261 . . . . 0.0 110.292 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.815 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.74 -38.09 88.15 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.2 mt-10 -75.06 -36.46 61.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.669 1.231 . . . . 0.0 110.368 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -69.06 -39.69 78.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.102 . . . . 0.0 110.43 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.486 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.6 mm-40 -63.59 -50.85 67.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.73 HD21 HG21 ' A' ' 26' ' ' VAL . 14.7 mt -44.49 -26.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.78 65.02 0.32 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.23 0.957 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.3 mtt180 -55.38 -42.86 98.17 Favored Pre-proline 0 N--CA 1.451 -0.393 0 O-C-N 124.467 0.746 . . . . 0.0 110.315 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.1 Cg_endo -75.06 62.86 5.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.562 1.822 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.25 -157.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 111.063 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.579 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.79 161.1 31.95 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.669 1.231 . . . . 0.0 109.238 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -61.55 -27.95 68.98 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.745 1.278 . . . . 0.0 110.997 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 78' ' ' ILE . 4.3 tt0 -56.26 -31.71 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.418 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.15 -20.1 60.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.69 -52.96 17.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.437 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' HD21 ' A' ' 80' ' ' LEU . 14.3 tt0 -48.85 -29.0 4.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.244 0.965 . . . . 0.0 110.196 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.669 ' O ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -90.33 -37.17 9.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.479 1.112 . . . . 0.0 109.385 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -73.92 70.3 1.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.572 1.17 . . . . 0.0 109.407 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 80' ' ' LEU . 2.4 pp -161.23 105.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 109.146 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -67.95 -50.93 53.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.419 1.074 . . . . 0.0 109.413 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -162.34 -164.58 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.368 1.043 . . . . 0.0 109.96 -179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' A' ' 82' ' ' SER . 29.4 m-85 -166.76 -173.03 2.28 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.281 0.988 . . . . 0.0 110.82 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.816 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -129.87 -45.48 1.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.203 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.72 -147.26 9.33 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.634 1.208 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -105.58 166.17 10.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.353 0.678 . . . . 0.0 110.396 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.841 HD13 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -152.06 135.88 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.633 1.208 . . . . 0.0 109.245 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.841 ' N ' HD13 ' A' ' 87' ' ' ILE . 15.6 mm-40 -135.01 162.92 31.09 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.3 153.69 51.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.205 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 4.3 t70 -118.23 -175.58 2.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.3 pp20? -33.63 -48.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.196 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -154.82 60.4 0.67 Allowed 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.48 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.7 pt20 -164.09 165.77 21.99 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 124.609 1.193 . . . . 0.0 110.245 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.659 HG13 HD11 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -139.82 114.63 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 O-C-N 124.605 1.191 . . . . 0.0 109.198 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.497 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -105.82 155.73 19.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.414 1.071 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -123.98 147.94 47.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 110.957 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.497 ' CE2' ' HB2' ' A' ' 95' ' ' ARG . 34.2 m-85 -146.96 131.79 18.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.368 1.042 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD2' ' HA3' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -79.99 17.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.598 1.186 . . . . 0.0 110.98 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.249 0.968 . . . . 0.0 109.162 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.581 ' HA ' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 179.74 -69.95 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -167.34 150.19 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.647 1.217 . . . . 0.0 109.286 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.053 HG23 ' HB3' ' A' ' 52' ' ' ALA . 3.7 m -129.81 -174.19 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.202 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -167.93 98.98 0.15 Allowed Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.414 1.071 . . . . 0.0 111.06 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.473 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 17.8 Cg_endo -75.04 110.95 3.21 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.411 1.743 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 17' ' ' ILE . 4.0 mm -99.45 141.76 16.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.657 1.223 . . . . 0.0 109.339 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 16' ' ' ILE . 23.0 pt -158.16 -179.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.402 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HD3' ' CB ' ' A' ' 79' ' ' ASN . 10.7 ptm180 -86.68 163.19 17.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.576 1.172 . . . . 0.0 110.402 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.72 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -81.36 158.96 24.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.22 -91.67 0.21 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.519 1.137 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -179.42 134.89 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.409 0.711 . . . . 0.0 109.213 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER 65.25 19.57 11.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 27' ' ' ILE . 1.6 t -79.1 -10.53 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.176 . . . . 0.0 109.266 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.1 mt-10 -77.98 -58.09 0.9 Allowed Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.574 1.171 . . . . 0.0 110.242 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.9 Cg_endo -74.92 -11.31 21.63 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.433 1.754 . . . . 0.0 111.042 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.902 HG13 HD11 ' A' ' 63' ' ' LEU . 21.3 t -90.21 -45.89 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.535 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 23' ' ' VAL . 5.3 tp -66.55 -32.3 57.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.66 1.225 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -73.52 -42.34 61.88 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.549 1.156 . . . . 0.0 110.228 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.6 m -74.39 -26.23 59.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.708 1.255 . . . . 0.0 110.298 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.27 -21.91 49.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.157 . . . . 0.0 109.49 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' OE2' ' CG2' ' A' ' 41' ' ' VAL . 29.4 mt-10 -79.11 -43.26 24.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 28' ' ' GLU . 8.8 pt -62.74 -35.95 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.341 1.026 . . . . 0.0 109.445 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.46 -39.98 64.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 124.282 0.989 . . . . 0.0 109.311 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -101.81 156.9 34.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.42 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 52.32 2.98 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.45 1.763 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.4 60.12 1.57 Allowed Glycine 0 CA--C 1.532 1.135 0 O-C-N 124.514 1.134 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 49.41 1.63 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.492 0.76 . . . . 0.0 109.18 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 179.32 47.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.685 1.241 . . . . 0.0 110.216 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.29 153.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.561 1.163 . . . . 0.0 109.411 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.4 m -128.68 123.99 34.55 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.557 1.161 . . . . 0.0 110.425 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.416 ' CG2' ' OE2' ' A' ' 31' ' ' GLU . 47.4 t -99.27 152.25 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -143.64 78.26 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.19 108.17 17.59 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.775 1.297 . . . . 0.0 109.243 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -80.49 -67.48 0.77 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 164.74 -48.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.183 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.1 -30.86 39.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.49 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -142.44 168.45 19.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.72 HG23 ' HA ' ' A' ' 19' ' ' ALA . 72.1 t -117.33 125.46 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 O-C-N 124.368 1.042 . . . . 0.0 109.205 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -113.0 137.46 51.36 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.312 1.007 . . . . 0.0 110.358 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 mt -130.31 146.37 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.36 1.038 . . . . 0.0 109.279 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.0 106.81 10.23 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.75 1.281 . . . . 0.0 109.251 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.053 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -92.46 154.03 18.75 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.603 1.189 . . . . 0.0 109.153 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -14.82 62.68 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.55 ' HA2' HG22 ' A' ' 13' ' ' VAL . . . 145.67 -74.05 0.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.069 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.776 ' C ' HD22 ' A' ' 56' ' ' LEU . 6.6 pt-20 -103.87 119.54 39.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.676 0.868 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.973 HD23 ' HB1' ' A' ' 52' ' ' ALA . 3.7 mm? -136.04 166.38 23.49 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.444 1.09 . . . . 0.0 109.147 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.426 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -150.37 138.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.529 ' HB2' HG23 ' A' ' 94' ' ' ILE . 1.1 mt -133.74 146.49 50.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.628 1.205 . . . . 0.0 109.386 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.4 p -143.11 14.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.256 0.972 . . . . 0.0 110.618 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.91 47.44 1.4 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.63 1.206 . . . . 0.0 110.262 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -20.59 63.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.304 1.002 . . . . 0.0 109.253 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -47.41 67.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.441 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.902 HD11 HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.33 -36.84 82.26 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.711 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.11 -14.75 59.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.706 1.254 . . . . 0.0 110.408 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.79 -31.18 17.51 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.62 1.2 . . . . 0.0 110.424 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.43 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 mt-30 -80.11 -43.5 21.6 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.649 1.218 . . . . 0.0 110.325 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.626 HD11 HG11 ' A' ' 26' ' ' VAL . 16.3 mt -40.0 -30.91 0.1 Allowed 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.378 1.049 . . . . 0.0 109.491 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.95 65.74 0.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 110.924 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.1 mtp-105 -50.78 -44.18 84.46 Favored Pre-proline 0 C--N 1.322 -0.591 0 O-C-N 124.461 0.742 . . . . 0.0 110.263 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.8 Cg_endo -74.92 64.0 5.95 Favored 'Trans proline' 0 C--N 1.362 1.267 0 O-C-N 124.335 1.702 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.72 -154.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.574 1.171 . . . . 0.0 110.96 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.596 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.53 -169.14 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 109.152 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.4 ptm -90.3 -18.88 24.8 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.51 1.131 . . . . 0.0 110.917 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -63.34 -32.12 73.45 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.566 ' OE2' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -71.0 -25.35 62.65 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.682 1.239 . . . . 0.0 110.227 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 80' ' ' LEU . 6.0 mp -66.76 -55.34 15.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.658 1.224 . . . . 0.0 109.194 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.611 ' O ' HD22 ' A' ' 80' ' ' LEU . 16.0 tt0 -66.31 -15.38 63.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.37 1.044 . . . . 0.0 110.251 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -90.2 -49.82 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.167 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.41 ' CB ' ' HD3' ' A' ' 18' ' ' ARG . 59.0 m-20 -69.77 64.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.231 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -117.76 160.7 20.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.447 ' HB3' ' CA ' ' A' ' 17' ' ' ILE . . . -131.86 -67.7 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.368 1.042 . . . . 0.0 109.144 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.594 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -156.73 -176.91 6.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.888 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.61 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 3.6 m-85 -165.49 172.41 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -105.98 -37.86 6.51 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.415 1.072 . . . . 0.0 109.453 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.35 -108.69 1.14 Allowed Glycine 0 CA--C 1.533 1.178 0 O-C-N 124.552 1.158 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.86 175.7 10.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 0.8 . . . . 0.0 110.28 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.61 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -132.77 170.3 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.279 0.987 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -155.47 112.75 3.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.656 1.223 . . . . 0.0 110.393 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' GLN . . . -99.85 132.21 45.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 109.101 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.8 t0 -92.77 -170.5 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -36.58 -42.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.302 1.002 . . . . 0.0 110.139 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -159.28 53.18 0.39 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.708 1.255 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 2.8 mt-30 -149.6 172.55 14.85 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.625 1.203 . . . . 0.0 110.363 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' ' 58' ' ' LEU . 4.1 tt -146.07 107.91 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.374 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.32 167.45 10.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.445 ' CD1' HG22 ' A' ' 87' ' ' ILE . 20.5 m-85 -133.71 161.0 35.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.675 1.234 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.499 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 36.6 p90 -173.54 116.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.364 1.04 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.701 ' HB3' HG13 ' A' ' 13' ' ' VAL . 3.0 p90 -40.25 -48.47 2.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.406 ' N ' ' CD1' ' A' ' 98' ' ' PHE . 7.1 m-20 . . . . . 0 C--N 1.323 -0.577 0 O-C-N 124.46 1.1 . . . . 0.0 109.206 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -141.21 -89.72 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.469 1.106 . . . . 0.0 109.209 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 8.3 p-10 -161.4 152.33 18.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 53' ' ' GLU . 1.4 m -103.0 161.6 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 124.443 1.09 . . . . 0.0 109.188 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.531 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -147.87 84.96 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.189 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.629 ' O ' HD12 ' A' ' 16' ' ' ILE . 18.3 Cg_endo -75.0 120.56 6.12 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.58 1.832 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 15' ' ' PRO . 1.1 mp -114.47 116.86 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 80' ' ' LEU . 4.7 pt -139.87 177.81 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.175 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.9 165.52 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -90.14 128.69 36.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.63 1.206 . . . . 0.0 109.354 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.44 -78.34 1.33 Allowed Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.298 0.999 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -177.37 124.69 0.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.625 0.838 . . . . 0.0 109.492 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER 66.55 16.92 10.54 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.69 HG11 HG21 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -79.47 -13.85 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 124.352 1.032 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.526 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -72.97 -58.54 2.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.664 1.227 . . . . 0.0 110.134 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.526 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.7 Cg_endo -74.9 -12.34 21.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.087 HG13 HD11 ' A' ' 63' ' ' LEU . 6.3 t -87.03 -42.72 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.467 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.785 ' CG1' HD11 ' A' ' 50' ' ' ILE . 7.0 tp -67.98 -39.89 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.895 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -65.21 -42.17 93.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 110.216 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -74.66 -29.78 61.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.06 -16.12 58.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.642 1.214 . . . . 0.0 109.449 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.49 -39.28 12.69 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.895 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.4 pp -68.98 -25.26 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 109.193 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.93 -31.47 59.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 35.4 t30 -106.72 109.73 63.29 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.703 1.252 . . . . 0.0 109.103 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 17.9 Cg_endo -75.0 -161.53 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.66 -1.11 39.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.606 1.191 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -104.29 132.27 50.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.398 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.773 ' C ' HD12 ' A' ' 39' ' ' ILE . 13.9 pt-20 -168.59 58.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.773 HD12 ' C ' ' A' ' 38' ' ' GLU . 2.0 mp -125.33 -90.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.747 ' N ' HG22 ' A' ' 39' ' ' ILE . 14.9 t -169.27 167.57 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.344 1.027 . . . . 0.0 110.204 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.89 HG22 HG23 ' A' ' 50' ' ' ILE . 3.6 t -139.24 148.44 23.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 O-C-N 124.512 1.132 . . . . 0.0 109.204 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -115.59 70.14 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.647 1.217 . . . . 0.0 110.145 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.447 ' OD1' ' CG1' ' A' ' 41' ' ' VAL . 44.2 m-20 -95.41 80.34 3.5 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 9.1 tpt85 -80.42 -66.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER 162.79 -49.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.759 1.287 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.87 95.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -133.22 171.18 14.37 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.378 1.049 . . . . 0.0 111.136 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.69 HG21 HG11 ' A' ' 23' ' ' VAL . 39.1 t -124.75 116.16 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 124.593 1.183 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.603 ' HG3' HD11 ' A' ' 16' ' ' ILE . 19.0 ttt180 -129.27 145.78 51.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.317 1.011 . . . . 0.0 110.345 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.89 HG23 HG22 ' A' ' 41' ' ' VAL . 58.4 mt -138.29 160.39 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.132 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -148.81 132.81 17.18 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.618 1.199 . . . . 0.0 109.26 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.754 ' HA ' HD13 ' A' ' 39' ' ' ILE . . . -176.62 174.14 1.9 Allowed 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -41.94 163.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.7 49.02 1.83 Allowed Glycine 0 CA--C 1.527 0.817 0 O-C-N 124.627 1.205 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -162.49 63.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.368 0.687 . . . . 0.0 110.397 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -103.3 168.73 8.98 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.591 1.182 . . . . 0.0 109.311 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 56' ' ' LEU . 2.2 pp -151.13 135.27 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.653 1.221 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.11 129.97 45.88 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.634 1.209 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.3 p -122.73 10.38 9.63 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.539 1.15 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -87.87 33.86 0.72 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -19.16 13.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.442 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 63' ' ' LEU . 11.1 t -69.84 -49.0 56.81 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.087 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.36 -38.39 89.93 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.557 1.161 . . . . 0.0 109.206 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.948 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -73.45 -26.04 60.76 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 124.367 1.042 . . . . 0.0 110.43 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.8 -38.8 45.76 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 68' ' ' GLY . 1.2 mm-40 -68.06 -47.76 67.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 110.115 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.809 HD11 HG11 ' A' ' 26' ' ' VAL . 56.3 mt -42.14 -28.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.19 65.33 0.31 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.622 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 8.0 mtt180 -50.35 -44.2 81.13 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.605 0.827 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.91 62.26 5.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.612 1.848 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.04 178.04 10.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.407 1.067 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -170.6 -168.8 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.238 0.961 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ASN . 5.6 ptt? -36.11 -55.95 0.76 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.296 0.998 . . . . 0.0 110.946 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -43.82 -45.13 7.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 110.21 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ASN . 2.3 mm-40 -75.09 -37.59 61.48 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.331 1.019 . . . . 0.0 110.097 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 71' ' ' PHE . 55.5 mt -57.91 -42.88 85.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.464 ' O ' HD11 ' A' ' 80' ' ' LEU . 15.1 tt0 -78.26 -13.27 59.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.064 . . . . 0.0 110.238 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -47.61 14.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.35 60.38 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.721 1.263 . . . . 0.0 109.37 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.696 ' HA ' HG22 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -151.94 162.52 40.93 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.162 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.442 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -134.97 -57.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.585 1.178 . . . . 0.0 109.246 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.546 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -151.79 -175.97 5.44 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.492 1.12 . . . . 0.0 109.913 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 82' ' ' SER . 85.1 m-85 -162.84 -174.59 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.397 1.06 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -126.68 -44.07 1.69 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -119.26 -139.43 5.99 Favored Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.377 1.048 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -116.25 172.41 7.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 0.732 . . . . 0.0 110.175 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.953 HD12 ' CE2' ' A' ' 96' ' ' PHE . 11.5 tt -143.5 151.35 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.424 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -141.32 158.16 44.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.143 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.2 138.31 43.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.326 1.016 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 0.6 OUTLIER -108.53 -174.4 2.51 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.6 pt-20 -31.37 -55.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -149.71 62.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.271 0.982 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.49 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 1.2 pp0? -168.05 164.03 13.57 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.558 1.161 . . . . 0.0 110.398 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.716 HD11 HD11 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -143.56 118.52 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.19 163.85 13.48 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.953 ' CE2' HD12 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -133.58 146.16 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.742 1.276 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 54.2 p90 -159.76 152.92 21.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 83.2 t80 -115.95 71.88 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.184 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -132.15 -87.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.072 . . . . 0.0 109.496 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -153.91 127.11 8.45 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.589 1.181 . . . . 0.0 109.217 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.724 HG12 ' HA3' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -108.05 163.83 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.375 1.047 . . . . 0.0 109.244 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.684 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -158.5 83.99 0.13 Allowed Glycine 0 CA--C 1.527 0.8 0 O-C-N 124.624 1.202 . . . . 0.0 110.992 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.561 ' O ' HD12 ' A' ' 16' ' ' ILE . 18.8 Cg_endo -74.96 129.15 12.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.341 1.706 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.597 HG22 ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -111.06 109.93 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.591 1.182 . . . . 0.0 109.48 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -119.64 167.61 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.367 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 158.46 32.56 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.673 1.233 . . . . 0.0 110.256 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.406 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -90.27 107.67 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.397 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.99 -92.05 0.43 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 0.0 111.174 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.57 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.676 0.868 . . . . 0.0 109.137 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -106.65 18.9 21.27 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.577 1.173 . . . . 0.0 109.151 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.723 HG11 HG21 ' A' ' 48' ' ' VAL . 1.4 t -77.55 -10.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 124.627 1.204 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.55 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.3 OUTLIER -76.71 -59.32 0.99 Allowed Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.396 1.06 . . . . 0.0 110.178 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.55 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -74.88 -10.49 21.43 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.639 1.863 . . . . 0.0 110.938 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.942 HG11 HD11 ' A' ' 67' ' ' LEU . 16.4 t -89.92 -43.31 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.376 1.048 . . . . 0.0 109.188 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 23' ' ' VAL . 3.8 tp -70.64 -34.36 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.64 -42.74 70.43 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.686 1.241 . . . . 0.0 110.238 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 m -77.73 -26.37 49.97 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.462 1.101 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -79.63 -22.36 43.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -84.25 -42.61 15.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.665 1.228 . . . . 0.0 110.426 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.5 pp -65.22 -30.0 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.437 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -36.34 84.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.91 165.85 13.22 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.9 55.81 4.0 Favored 'Trans proline' 0 C--N 1.358 1.046 0 O-C-N 124.623 1.854 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.74 58.49 1.84 Allowed Glycine 0 CA--C 1.527 0.793 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 31.59 1.36 Allowed 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 124.323 0.661 . . . . 0.0 109.297 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 3.2 pt-20 -178.31 59.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.222 0.951 . . . . 0.0 110.268 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 40' ' ' THR . 41.9 mm -120.64 165.16 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.357 1.036 . . . . 0.0 109.432 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.492 ' N ' HG22 ' A' ' 39' ' ' ILE . 6.2 m -131.27 113.48 13.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.333 1.021 . . . . 0.0 110.305 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.38 144.99 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.176 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.42 82.08 2.0 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.687 1.242 . . . . 0.0 110.254 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.77 98.03 9.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.625 1.203 . . . . 0.0 109.331 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -79.98 -76.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.313 1.008 . . . . 0.0 110.36 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.01 -46.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.108 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' CD1' ' A' ' 47' ' ' TYR . . . -76.98 -33.38 57.63 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 33.7 m-85 -145.96 177.94 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.723 HG21 HG11 ' A' ' 23' ' ' VAL . 38.5 t -120.07 128.48 75.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.703 1.252 . . . . 0.0 109.378 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 7.4 ttt180 -123.63 156.09 36.49 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.478 1.111 . . . . 0.0 110.205 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.468 HG22 ' H ' ' A' ' 51' ' ' ALA . 7.7 mt -141.15 168.51 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.468 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -148.71 116.47 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.32 1.013 . . . . 0.0 109.333 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -123.32 -174.5 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.302 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.03 -33.91 24.4 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.92 40.48 0.34 Allowed Glycine 0 CA--C 1.527 0.819 0 O-C-N 124.457 1.098 . . . . 0.0 111.25 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 4.2 pt-20 -178.03 110.78 0.07 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.33 0.665 . . . . 0.0 110.293 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.542 HD11 ' CB ' ' A' ' 52' ' ' ALA . 16.9 mt -146.95 167.74 23.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 109.215 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.49 123.96 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.353 1.033 . . . . 0.0 109.555 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.08 123.78 43.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 0.0 109.247 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.1 p -119.64 6.38 11.02 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.628 1.205 . . . . 0.0 110.438 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.52 46.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.179 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -21.73 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.269 0.981 . . . . 0.0 109.416 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 63' ' ' LEU . 8.8 t -70.38 -51.91 26.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.698 1.249 . . . . 0.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.772 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -67.89 -29.11 68.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.694 1.246 . . . . 0.0 109.166 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.618 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.7 mt-10 -80.11 -24.07 40.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.15 -35.26 31.72 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.562 1.164 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -70.96 -46.19 62.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.346 1.029 . . . . 0.0 110.234 179.845 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.942 HD11 HG11 ' A' ' 26' ' ' VAL . 21.5 mt -40.78 -31.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.66 65.3 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.623 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 22.2 mtp180 -51.81 -44.05 89.97 Favored Pre-proline 0 C--N 1.322 -0.618 0 O-C-N 124.525 0.78 . . . . 0.0 110.347 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.0 64.64 6.06 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.414 1.744 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.971 ' CE2' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.88 -169.99 2.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.827 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -171.39 -175.52 1.65 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.311 1.007 . . . . 0.0 109.34 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.491 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -49.34 -75.1 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.324 1.015 . . . . 0.0 111.122 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.477 ' HB2' ' CE ' ' A' ' 73' ' ' MET . 1.9 tt0 -38.44 -52.98 1.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.523 1.14 . . . . 0.0 110.49 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -62.28 -39.19 92.12 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.634 1.209 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.971 HD11 ' CE2' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -52.31 -52.96 50.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 124.361 1.038 . . . . 0.0 109.362 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.63 ' O ' HD21 ' A' ' 80' ' ' LEU . 6.9 tt0 -63.11 -15.9 58.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.183 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -90.56 -38.55 10.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.36 1.038 . . . . 0.0 109.316 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -79.29 66.25 4.69 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.581 1.176 . . . . 0.0 109.247 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.63 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -146.09 166.58 25.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.622 1.201 . . . . 0.0 109.287 179.723 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.597 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -118.3 -54.1 2.31 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.594 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -170.74 179.53 3.19 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 82' ' ' SER . 42.2 m-85 -164.92 152.85 11.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.635 1.21 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.684 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -108.08 -21.91 12.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.724 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -119.78 -160.2 11.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -111.86 168.85 9.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.594 0.82 . . . . 0.0 110.369 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.533 HG22 ' CD2' ' A' ' 96' ' ' PHE . 1.8 pt -149.8 151.06 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 109.181 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 89' ' ' ALA . 2.3 tt0 -148.34 138.46 22.52 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.329 1.018 . . . . 0.0 110.179 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 88' ' ' GLN . . . -110.46 149.08 30.81 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.258 0.974 . . . . 0.0 109.145 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -120.41 -173.63 2.61 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.398 1.061 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.1 pt-20 -29.72 -61.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 92' ' ' ASP . 9.6 p-10 -146.97 60.86 1.19 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.699 1.25 . . . . 0.0 109.434 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 6.1 pt20 -173.44 179.16 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.353 1.033 . . . . 0.0 110.249 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.51 HD11 ' HE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -160.83 126.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 0.0 109.192 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.21 137.1 54.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.533 ' CD2' HG22 ' A' ' 87' ' ' ILE . 4.1 m-85 -95.37 156.74 16.19 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -176.84 150.44 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.71 1.256 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -104.91 -20.77 13.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 5.2 p-10 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.69 -63.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.403 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -162.04 176.22 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.096 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 2.0 m -106.14 132.49 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.421 1.076 . . . . 0.0 109.269 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.563 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -136.07 73.22 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.407 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.1 Cg_endo -75.13 132.39 15.2 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.648 1.868 . . . . 0.0 110.796 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 15' ' ' PRO . 4.5 mm -123.15 139.23 50.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.372 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 pt -150.87 161.96 3.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 8.4 ptm180 -99.35 51.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.419 1.074 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.65 ' HB3' HG23 ' A' ' 48' ' ' VAL . . . -57.79 -161.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.338 1.024 . . . . 0.0 109.187 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.16 46.92 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.254 0.971 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -147.02 -65.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.388 0.699 . . . . 0.0 109.403 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -148.57 21.4 1.04 Allowed 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' HB ' ' HB1' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -78.34 -10.77 13.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 124.516 1.135 . . . . 0.0 109.192 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.5 mt-10 -74.84 -58.96 1.53 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.326 1.016 . . . . 0.0 110.198 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.9 Cg_endo -75.1 -13.48 21.19 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.501 1.79 . . . . 0.0 110.777 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.122 HG22 HD11 ' A' ' 63' ' ' LEU . 4.5 t -85.11 -40.92 15.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 124.648 1.217 . . . . 0.0 109.195 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 24' ' ' GLU . 6.8 tp -71.58 -40.66 71.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.293 0.996 . . . . 0.0 109.411 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.879 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -62.78 -39.75 95.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.352 1.032 . . . . 0.0 110.13 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.0 m -78.73 -31.39 46.35 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.58 58.78 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -87.29 -40.96 14.03 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.544 1.153 . . . . 0.0 110.4 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.879 HG23 ' O ' ' A' ' 28' ' ' GLU . 9.6 pt -63.27 -34.56 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.118 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.32 -39.32 79.1 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -96.14 177.34 1.77 Allowed Pre-proline 0 N--CA 1.449 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.386 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 18.2 Cg_endo -75.09 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.395 1.734 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' PRO . . . 37.71 31.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.407 1.067 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -90.78 33.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 0.762 . . . . 0.0 109.276 -179.852 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.48 ' C ' HD12 ' A' ' 39' ' ' ILE . 5.5 pt-20 179.59 46.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.48 HD12 ' C ' ' A' ' 38' ' ' GLU . 1.5 mp -144.56 161.46 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.657 1.223 . . . . 0.0 109.178 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 22.7 m -128.6 154.77 45.88 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.444 1.09 . . . . 0.0 110.394 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 42' ' ' GLU . 60.2 t -117.1 162.5 15.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 124.552 1.158 . . . . 0.0 109.459 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -141.61 84.98 1.93 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -94.91 122.08 37.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.63 1.206 . . . . 0.0 109.36 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 25.2 tpt180 -94.23 -42.43 8.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.41 1.069 . . . . 0.0 110.245 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 158.68 -65.76 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.381 1.051 . . . . 0.0 110.154 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' ALA . . . -85.72 -60.07 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.14 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 18' ' ' ARG . 54.9 m-85 -75.67 179.34 5.44 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.696 1.247 . . . . 0.0 110.766 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 19' ' ' ALA . 55.1 t -147.08 125.92 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.626 1.204 . . . . 0.0 109.205 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 20.2 ttt180 -125.67 155.58 40.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.353 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.441 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 12.9 mt -132.83 153.32 37.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 0.0 109.346 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.99 79.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.224 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.096 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . . . -92.26 174.76 7.13 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.637 1.211 . . . . 0.0 109.189 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -90.2 -132.7 0.1 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.49 1.119 . . . . 0.0 110.454 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.567 ' HA2' ' CD2' ' A' ' 98' ' ' PHE . . . -53.67 -96.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.311 1.007 . . . . 0.0 110.783 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.485 ' C ' HD22 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -122.6 146.66 47.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.407 0.71 . . . . 0.0 110.343 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.719 ' CD2' ' HB1' ' A' ' 52' ' ' ALA . 4.2 mm? -120.47 -173.1 2.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.282 0.989 . . . . 0.0 109.489 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.802 HD12 ' H ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -147.8 149.19 15.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.802 ' H ' HD12 ' A' ' 57' ' ' ILE . 44.4 mt -148.87 129.75 14.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.409 1.068 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.9 p -117.05 12.67 14.63 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.342 1.026 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.51 32.5 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.41 1.069 . . . . 0.0 110.202 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -56.55 -24.56 47.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.627 1.204 . . . . 0.0 109.19 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 t -73.57 -35.41 65.45 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.294 0.996 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.122 HD11 HG22 ' A' ' 26' ' ' VAL . 1.9 tp -69.49 -43.85 72.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.564 1.165 . . . . 0.0 109.417 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -34.88 66.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.14 . . . . 0.0 110.183 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.62 -38.94 73.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.364 1.04 . . . . 0.0 110.181 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.2 mt-30 -62.12 -47.71 83.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.668 1.23 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.085 HD11 HG21 ' A' ' 26' ' ' VAL . 79.0 mt -39.58 -31.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.782 1.301 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.619 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -158.39 65.89 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.573 1.171 . . . . 0.0 110.92 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 43.1 mtm180 -52.16 -44.01 91.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.85 61.29 5.51 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.35 -160.42 0.84 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.657 1.223 . . . . 0.0 110.989 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.559 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -149.02 -165.17 2.21 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.564 1.165 . . . . 0.0 109.202 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -14.82 59.21 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.477 1.11 . . . . 0.0 110.941 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -58.25 -47.01 84.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' ASN . 2.0 mt-10 -53.99 -31.15 49.99 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.358 1.036 . . . . 0.0 110.188 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.98 -49.97 72.58 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.48 1.113 . . . . 0.0 109.225 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.91 -18.44 50.54 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.488 1.118 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.701 HG22 ' N ' ' A' ' 79' ' ' ASN . 1.2 mp -85.93 -68.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.163 . . . . 0.0 109.237 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.701 ' N ' HG22 ' A' ' 78' ' ' ILE . 94.8 m-20 -71.9 77.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.599 1.187 . . . . 0.0 109.174 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -146.09 163.83 34.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.705 1.253 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.47 -62.87 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.5 1.125 . . . . 0.0 109.124 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.551 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -154.81 -178.16 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.083 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 82' ' ' SER . 33.7 m-85 -169.73 175.79 5.14 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.563 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -116.16 -74.32 0.61 Allowed 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.541 1.15 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.42 -137.16 6.26 Favored Glycine 0 CA--C 1.533 1.196 0 O-C-N 124.566 1.167 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.68 176.93 7.91 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 124.565 0.803 . . . . 0.0 110.289 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.58 ' CG2' ' CZ ' ' A' ' 96' ' ' PHE . 19.4 pt -135.63 155.82 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.733 1.271 . . . . 0.0 109.265 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -135.43 138.37 43.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.254 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.12 131.66 56.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 5.2 t0 -100.65 -177.53 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.38 1.05 . . . . 0.0 109.146 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.8 pt-20 -33.53 -54.99 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -147.24 60.84 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.76 ' NE2' HH11 ' A' ' 95' ' ' ARG . 0.0 OUTLIER -170.19 170.83 7.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.21 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.769 HD13 ' N ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -150.51 139.52 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.602 1.189 . . . . 0.0 109.376 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.769 ' N ' HD13 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -132.96 175.97 8.9 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.333 1.02 . . . . 0.0 110.254 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.58 ' CZ ' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -132.43 160.42 36.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CE2' ' HG3' ' A' ' 95' ' ' ARG . 98.4 m-85 -148.34 143.27 26.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -85.8 14.35 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.061 . . . . 0.0 110.943 -179.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.626 1.204 . . . . 0.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 t -139.22 149.17 44.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.404 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.49 174.3 10.02 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.49 1.119 . . . . 0.0 109.404 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.12 162.23 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.047 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.83 159.14 40.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.533 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.94 153.93 38.68 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.369 1.043 . . . . 0.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.8 44.34 1.18 Allowed 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.535 HD22 HG22 ' A' ' 101' ' ' THR . 16.4 mt -82.29 83.83 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.33 1.019 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.567 ' CE1' ' OD1' ' A' ' 10' ' ' ASN . 8.4 t-160 -174.59 173.17 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.703 1.252 . . . . 0.0 109.546 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.567 ' OD1' ' CE1' ' A' ' 9' ' ' HIS . 9.0 p-10 -74.02 143.36 45.57 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.41 1.069 . . . . 0.0 109.369 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 12.3 m-20 -139.57 -74.26 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.658 1.224 . . . . 0.0 109.302 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -161.29 128.7 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.175 . . . . 0.0 109.135 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.796 HG13 ' HB2' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -102.22 137.04 31.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.707 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -120.96 77.26 0.32 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.481 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.4 Cg_endo -74.82 122.4 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.42 1.747 . . . . 0.0 111.196 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 49' ' ' ARG . 4.8 mm -116.74 126.43 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.93 150.66 16.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 O-C-N 124.856 1.347 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -52.43 165.23 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 0.0 110.411 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . -108.0 165.34 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.95 -87.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -177.95 155.15 0.96 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.552 0.795 . . . . 0.0 109.173 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.4 mp 67.8 16.69 9.73 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.697 1.248 . . . . 0.0 109.251 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.411 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -81.16 -12.73 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.491 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -74.26 -57.65 2.16 Favored Pre-proline 0 N--CA 1.45 -0.438 0 O-C-N 124.355 1.034 . . . . 0.0 110.138 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.8 Cg_endo -75.05 -15.34 20.69 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 124.409 1.742 . . . . 0.0 111.011 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.114 HG13 HD21 ' A' ' 63' ' ' LEU . 6.5 t -83.62 -42.1 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 24' ' ' GLU . 8.6 tp -67.22 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.376 1.047 . . . . 0.0 109.162 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.953 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -65.39 -39.35 92.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.41 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 m -79.3 -26.12 42.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.76 1.287 . . . . 0.0 110.507 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.32 -16.6 48.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.2 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -89.16 -36.53 15.63 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.1 pp -70.94 -31.31 44.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.176 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -58.61 -26.84 64.11 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.488 1.117 . . . . 0.0 109.211 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -115.79 146.21 36.36 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.486 1.116 . . . . 0.0 109.402 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 55.62 4.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.621 1.853 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' CA ' HD13 ' A' ' 39' ' ' ILE . . . -95.41 61.53 1.49 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.02 46.13 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.525 0.779 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.55 ' C ' HD12 ' A' ' 39' ' ' ILE . 6.4 pt-20 179.49 49.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.387 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.55 HD12 ' C ' ' A' ' 38' ' ' GLU . 2.6 mp -130.12 163.87 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.4 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.493 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 5.6 m -132.86 143.14 49.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 42' ' ' GLU . 85.7 t -112.12 163.31 9.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' HG12 ' A' ' 41' ' ' VAL . 3.2 mt-10 -147.28 70.77 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.576 ' OD1' HG13 ' A' ' 48' ' ' VAL . 29.5 m-20 -93.16 109.07 20.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 109.228 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 15.9 tpt180 -81.39 -57.28 3.55 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.541 1.151 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 162.66 -47.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.237 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -76.65 -41.99 43.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 109.413 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -128.7 167.57 17.04 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.578 1.174 . . . . 0.0 111.166 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.576 HG13 ' OD1' ' A' ' 43' ' ' ASP . 47.3 t -123.78 117.36 50.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.365 1.041 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HB2' HD12 ' A' ' 16' ' ' ILE . 27.1 ttt180 -119.79 148.95 42.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.33 1.018 . . . . 0.0 110.387 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 51' ' ' ALA . 18.1 mt -134.42 168.55 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.234 0.959 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.489 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -145.28 82.24 1.65 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.75 1.281 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -88.06 178.8 6.55 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.421 1.076 . . . . 0.0 109.205 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.3 tt0 -68.11 -54.43 18.19 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.522 ' H ' HD21 ' A' ' 56' ' ' LEU . . . 161.76 -50.68 0.34 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.308 1.005 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.654 ' O ' HD13 ' A' ' 56' ' ' LEU . 30.8 tt0 -99.43 96.12 7.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 0.818 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 55' ' ' GLU . 2.0 mm? -126.9 164.72 20.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 0.0 109.374 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.914 ' O ' HD12 ' A' ' 57' ' ' ILE . 2.7 pp -148.54 116.83 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.65 140.96 42.87 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.639 1.212 . . . . 0.0 109.443 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.4 p -129.82 14.47 5.86 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.649 1.218 . . . . 0.0 110.333 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.05 33.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.508 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -22.11 61.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.672 1.232 . . . . 0.0 109.26 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -69.81 -48.17 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.399 1.062 . . . . 0.0 110.307 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.114 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -63.16 -34.12 76.95 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.605 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.72 -22.13 47.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.725 1.265 . . . . 0.0 110.245 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -37.75 26.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.456 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.482 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -65.04 -40.3 94.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 110.353 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 26' ' ' VAL . 35.3 mt -42.21 -28.43 0.19 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.275 0.984 . . . . 0.0 109.166 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.611 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.18 65.6 0.3 Allowed Glycine 0 CA--C 1.532 1.151 0 O-C-N 124.527 1.142 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.621 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 35.1 mtm180 -53.53 -43.56 95.98 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.622 0.836 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 17.9 Cg_endo -74.96 62.37 5.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.645 1.866 . . . . 0.0 111.109 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.16 -157.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.6 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -140.61 -166.25 2.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.562 1.164 . . . . 0.0 109.502 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.561 ' HA ' HD13 ' A' ' 76' ' ' LEU . 28.0 mtt -89.83 -17.34 28.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.434 1.083 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.77 -28.95 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.383 1.052 . . . . 0.0 110.225 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.58 -35.09 78.35 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.326 1.016 . . . . 0.0 110.136 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 73' ' ' MET . 3.9 mp -61.49 -59.43 5.24 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.833 ' O ' HD22 ' A' ' 80' ' ' LEU . 50.4 tt0 -61.58 -13.49 22.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 110.15 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -87.36 -44.1 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.404 1.065 . . . . 0.0 109.321 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.503 ' O ' HD12 ' A' ' 80' ' ' LEU . 43.1 m-20 -70.73 60.84 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.536 1.147 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.833 HD22 ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -118.05 141.94 47.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.47 -52.24 1.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.539 1.149 . . . . 0.0 109.391 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.418 ' N ' ' HB ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -166.12 170.99 12.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.66 1.225 . . . . 0.0 110.055 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -153.84 172.82 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.646 1.216 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.707 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -131.13 -45.14 1.02 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.348 1.03 . . . . 0.0 109.407 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.0 -146.26 10.12 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -111.2 177.07 4.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.442 0.731 . . . . 0.0 110.271 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.888 HD13 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -159.95 148.19 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 124.63 1.206 . . . . 0.0 109.376 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.888 ' N ' HD13 ' A' ' 87' ' ' ILE . 28.6 mt-30 -143.17 117.87 9.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 110.367 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -96.16 151.3 19.61 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' CD ' ' A' ' 93' ' ' GLN . 10.0 t70 -119.15 -176.31 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 90' ' ' ASP . 6.2 pt-20 -34.15 -52.51 0.46 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.555 1.16 . . . . 0.0 110.197 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -149.72 59.75 1.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.349 1.031 . . . . 0.0 109.143 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.492 ' NE2' ' NE ' ' A' ' 95' ' ' ARG . 1.6 pt20 -163.63 164.99 23.86 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 124.596 1.185 . . . . 0.0 110.222 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.585 HG13 HD11 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -142.24 112.95 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.668 1.23 . . . . 0.0 109.316 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.492 ' NE ' ' NE2' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -110.79 132.8 53.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.601 1.188 . . . . 0.0 110.421 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.11 138.25 44.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.657 1.223 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 95' ' ' ARG . 46.2 m-85 -140.57 132.66 27.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.796 ' HB2' HG13 ' A' ' 13' ' ' VAL . 3.6 t80 -88.2 -25.69 22.78 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.15 134.35 17.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.309 1.006 . . . . 0.0 109.477 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 -79.32 0.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.56 1.163 . . . . 0.0 109.257 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.535 HG22 HD22 ' A' ' 8' ' ' LEU . 5.5 t -67.08 124.25 22.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.706 1.254 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.418 1.074 . . . . 0.0 111.008 179.782 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 m 61.76 124.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.526 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pp -150.94 116.95 5.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.0 120.25 12.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.384 1.052 . . . . 0.0 109.362 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.49 110.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.358 1.036 . . . . 0.0 109.255 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -103.76 152.17 22.17 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.668 1.23 . . . . 0.0 110.364 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.18 65.86 0.71 Allowed 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mt -137.49 -63.3 0.59 Allowed 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.477 1.11 . . . . 0.0 109.388 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.08 175.15 0.14 Allowed 'General case' 0 C--N 1.319 -0.73 0 O-C-N 124.661 1.225 . . . . 0.0 109.555 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -80.36 139.64 36.46 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.39 1.056 . . . . 0.0 109.216 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -139.31 -48.59 0.48 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.707 1.254 . . . . 0.0 109.246 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' ALA . 1.6 t30 179.94 147.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.271 0.982 . . . . 0.0 109.42 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.763 HG12 ' HA3' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -114.38 166.07 8.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 124.807 1.317 . . . . 0.0 109.494 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -156.2 85.28 0.13 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.271 0.982 . . . . 0.0 111.208 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' HD13 ' A' ' 16' ' ' ILE . 19.0 Cg_endo -74.8 130.72 13.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.544 1.813 . . . . 0.0 111.062 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 17' ' ' ILE . 8.9 mm -116.99 138.33 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 16' ' ' ILE . 4.3 pt -157.45 -173.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.382 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -167.14 1.04 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.724 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -167.11 154.18 8.73 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.04 64.4 0.27 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.591 1.182 . . . . 0.0 111.016 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -179.61 -147.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.643 0.849 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 mm? -89.64 27.71 1.45 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.436 1.085 . . . . 0.0 109.131 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.52 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.5 t -74.71 -9.47 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.728 1.267 . . . . 0.0 109.468 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.58 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.7 mt-10 -77.03 -60.81 0.75 Allowed Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.418 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.2 Cg_endo -75.02 -9.75 20.88 Favored 'Trans proline' 0 C--N 1.357 1.0 0 O-C-N 124.624 1.855 . . . . 0.0 110.973 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.033 HG13 HD21 ' A' ' 63' ' ' LEU . 23.9 t -90.16 -44.23 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.014 HD11 HD11 ' A' ' 50' ' ' ILE . 7.9 tp -70.11 -38.78 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 O-C-N 124.409 1.068 . . . . 0.0 109.213 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -66.44 -45.03 81.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.0 m -73.93 -29.82 62.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.36 1.038 . . . . 0.0 110.45 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -74.95 -14.67 60.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.617 1.198 . . . . 0.0 109.204 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.26 -43.1 11.82 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.75 ' C ' HD12 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -66.81 -24.18 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.712 1.258 . . . . 0.0 109.152 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.62 -41.55 90.68 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 56' ' ' LEU . 6.3 t30 -98.86 141.71 23.36 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.315 1.009 . . . . 0.0 109.071 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 54.27 3.56 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.403 1.738 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.46 60.35 1.54 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.706 1.254 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 56.68 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.602 0.824 . . . . 0.0 109.133 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 179.08 43.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.75 HD11 HD21 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -125.66 154.91 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.9 m -125.48 121.46 33.81 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.314 1.009 . . . . 0.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG22 HG23 ' A' ' 50' ' ' ILE . 84.9 t -91.22 149.69 4.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 124.462 1.102 . . . . 0.0 109.135 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' CB ' ' HG2' ' A' ' 49' ' ' ARG . 4.5 mt-10 -133.05 77.5 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.796 1.31 . . . . 0.0 110.41 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.61 100.37 12.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.652 1.22 . . . . 0.0 109.385 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -81.16 -71.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.655 1.222 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.04 -42.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.18 30.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.635 1.21 . . . . 0.0 109.474 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -136.72 169.8 17.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.721 1.263 . . . . 0.0 111.025 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' A' ' 19' ' ' ALA . 3.3 t -123.6 126.26 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.053 . . . . 0.0 109.064 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' HG2' ' CB ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -134.45 154.54 51.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.614 1.196 . . . . 0.0 110.42 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.014 HD11 HD11 ' A' ' 27' ' ' ILE . 2.7 mt -133.83 175.71 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.631 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -150.43 123.38 8.74 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.604 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -135.39 -175.44 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.598 1.186 . . . . 0.0 109.394 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -32.9 48.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.397 1.061 . . . . 0.0 110.359 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . 115.44 50.39 0.45 Allowed Glycine 0 CA--C 1.527 0.838 0 O-C-N 124.388 1.055 . . . . 0.0 111.083 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -178.46 87.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.448 0.734 . . . . 0.0 110.236 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 39' ' ' ILE . 1.2 mt -134.57 176.1 8.94 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.819 1.324 . . . . 0.0 109.403 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.775 ' C ' HD13 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -157.08 103.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.555 1.16 . . . . 0.0 109.257 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.461 ' HB2' HG23 ' A' ' 94' ' ' ILE . 3.8 mt -92.68 150.61 20.58 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.605 1.19 . . . . 0.0 109.3 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.0 p -134.88 8.96 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.281 0.988 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -84.18 45.46 1.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.681 1.238 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.28 -24.48 64.87 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.634 1.209 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -72.09 -34.46 68.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.469 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.033 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -70.12 -42.47 72.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.767 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -76.18 -25.81 55.58 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.16 -37.06 39.33 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.462 1.102 . . . . 0.0 110.101 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -69.84 -46.76 64.89 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 124.557 1.161 . . . . 0.0 110.393 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 26' ' ' VAL . 30.5 mt -42.75 -28.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.415 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.603 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.75 65.36 0.31 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.559 1.162 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 29.2 mtp180 -53.8 -43.51 96.46 Favored Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.628 0.84 . . . . 0.0 110.44 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.82 62.18 5.65 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.414 1.744 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.63 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.23 -159.07 0.67 Allowed 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.68 1.237 . . . . 0.0 110.903 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.585 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -151.24 -165.13 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -80.72 -10.87 59.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.4 -36.47 84.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.99 -25.36 63.57 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.36 -54.03 39.35 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.533 1.146 . . . . 0.0 109.131 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.774 ' O ' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.45 -30.56 69.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.608 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -69.57 -60.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.608 ' N ' HG22 ' A' ' 78' ' ' ILE . 23.8 m-20 -71.1 81.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.816 HD23 ' C ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -162.57 173.78 13.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.344 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.64 -66.27 0.84 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -159.45 -165.25 1.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.405 ' CG ' ' O ' ' A' ' 82' ' ' SER . 41.5 m-85 -162.15 160.05 26.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.44 1.088 . . . . 0.0 110.919 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -123.11 7.18 9.18 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.763 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -150.69 -156.71 7.46 Favored Glycine 0 CA--C 1.533 1.171 0 O-C-N 124.225 0.953 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.14 165.74 11.37 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.517 0.775 . . . . 0.0 110.445 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 94' ' ' ILE . 8.8 tt -152.2 147.13 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.667 1.229 . . . . 0.0 109.239 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.71 168.67 19.25 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.604 1.19 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.02 130.29 31.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.431 1.082 . . . . 0.0 109.164 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.483 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 2.8 t70 -103.97 -179.46 3.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.731 1.27 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 90' ' ' ASP . 9.5 pt-20 -33.51 -51.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.639 1.212 . . . . 0.0 110.213 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -151.17 61.77 0.9 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.57 1.169 . . . . 0.0 109.132 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.483 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -170.62 174.01 5.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.34 1.025 . . . . 0.0 110.368 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 87' ' ' ILE . 2.1 tt -141.8 105.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.8 149.2 24.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.231 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.791 ' CZ ' HD12 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -131.08 147.78 52.66 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.426 1.079 . . . . 0.0 110.902 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -176.86 165.74 2.47 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.66 ' HB2' HG13 ' A' ' 13' ' ' VAL . 16.5 t80 -114.73 -28.41 7.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.5 144.78 16.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.424 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.85 -65.59 1.01 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.152 . . . . 0.0 109.427 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -82.06 133.21 35.27 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.682 1.238 . . . . 0.0 110.454 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 18.7 ttt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.559 1.162 . . . . 0.0 111.042 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.1 p -101.04 -179.67 4.11 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 124.327 1.017 . . . . 0.0 110.399 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.37 170.87 11.62 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.457 1.098 . . . . 0.0 109.217 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.66 154.34 39.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.219 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -96.21 176.46 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.407 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -113.18 172.77 6.74 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 124.546 1.154 . . . . 0.0 110.245 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.57 101.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.509 1.13 . . . . 0.0 109.388 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.598 HD22 ' HG2' ' A' ' 100' ' ' LYS . 1.3 mp -72.81 123.27 23.02 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 10' ' ' ASN . 4.4 t60 172.13 162.13 0.11 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.574 1.171 . . . . 0.0 109.691 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 2.6 t30 -44.75 120.38 2.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 109.273 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -149.1 -88.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.719 1.262 . . . . 0.0 109.127 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -149.92 151.02 32.74 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.542 1.151 . . . . 0.0 109.398 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -130.26 160.28 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.705 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -151.94 82.84 0.17 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.4 1.062 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 116.37 4.56 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.56 1.821 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.624 HG22 ' HB3' ' A' ' 81' ' ' ALA . 8.2 mm -100.87 108.72 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.31 172.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 124.389 1.056 . . . . 0.0 109.501 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.78 160.39 30.04 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.359 1.037 . . . . 0.0 110.178 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.599 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -99.63 151.35 21.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.394 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.03 -90.89 0.1 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -177.3 150.3 0.71 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.454 0.738 . . . . 0.0 109.545 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER 66.54 18.1 10.74 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 124.418 1.074 . . . . 0.0 109.482 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.92 -9.65 12.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -78.25 -58.0 0.86 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.392 1.057 . . . . 0.0 110.274 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.7 Cg_endo -75.2 -12.83 21.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.649 1.868 . . . . 0.0 110.866 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.959 HG21 HD21 ' A' ' 67' ' ' LEU . 15.1 t -87.04 -43.67 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 27' ' ' ILE . 8.0 tp -68.97 -43.34 82.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.61 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -62.05 -43.11 99.53 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.2 m -72.43 -33.86 67.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.38 -15.67 62.38 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.501 1.125 . . . . 0.0 109.241 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -84.27 -38.0 21.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.377 1.048 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.61 HG23 ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -70.13 -24.82 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.474 1.109 . . . . 0.0 109.447 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -66.22 -25.03 66.72 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.74 168.93 10.75 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.257 0.973 . . . . 0.0 109.242 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 54.03 3.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.822 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.26 61.32 1.54 Allowed Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.502 1.126 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.27 39.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.697 0.881 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 179.4 37.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 39' ' ' ILE . 20.9 mm -87.97 147.59 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.171 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -128.55 112.49 14.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.71 1.256 . . . . 0.0 110.457 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 42' ' ' GLU . 30.8 t -96.54 163.07 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.393 1.058 . . . . 0.0 109.372 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -153.59 97.52 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -78.24 109.68 12.57 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.3 tpm_? -80.45 -69.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.343 1.027 . . . . 0.0 110.288 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 161.16 -55.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.53 -35.66 22.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -135.85 165.9 24.56 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.687 1.242 . . . . 0.0 111.002 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.599 HG23 ' HA ' ' A' ' 19' ' ' ALA . 41.0 t -104.15 136.73 36.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 124.569 1.168 . . . . 0.0 109.224 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -122.42 136.37 54.88 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.505 1.128 . . . . 0.0 110.208 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 51' ' ' ALA . 5.9 mt -127.43 168.31 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.526 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -144.23 128.9 18.2 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.583 1.177 . . . . 0.0 109.37 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.872 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -130.38 -172.92 2.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.595 1.184 . . . . 0.0 109.554 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -83.32 -46.13 12.97 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.515 1.134 . . . . 0.0 110.182 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.09 -51.83 0.29 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.532 1.145 . . . . 0.0 111.093 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.82 121.2 43.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 0.782 . . . . 0.0 110.181 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.872 HD11 ' CB ' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -137.13 173.21 11.93 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.425 1.078 . . . . 0.0 109.238 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.509 ' C ' HD13 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -158.28 132.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.401 1.063 . . . . 0.0 109.442 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.427 ' C ' ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -134.35 158.26 44.26 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.64 1.213 . . . . 0.0 109.5 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.427 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 22.0 p -149.73 19.4 0.91 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.359 1.037 . . . . 0.0 110.212 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -87.55 46.21 1.36 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.444 1.09 . . . . 0.0 110.231 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -18.32 51.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.322 1.014 . . . . 0.0 109.444 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.6 t -74.1 -47.34 36.96 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.408 1.067 . . . . 0.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.84 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.07 -38.46 90.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.747 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -73.6 -33.29 64.53 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.612 1.195 . . . . 0.0 110.349 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.13 -39.76 71.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -65.72 -49.36 68.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 124.33 1.019 . . . . 0.0 110.353 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.959 HD21 HG21 ' A' ' 26' ' ' VAL . 12.2 mt -42.86 -27.77 0.21 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.622 1.201 . . . . 0.0 109.188 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.83 65.19 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.376 1.048 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.1 mtt-85 -53.83 -43.46 96.43 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.547 0.792 . . . . 0.0 110.416 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.1 Cg_endo -74.93 62.16 5.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.635 1.861 . . . . 0.0 111.067 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.15 -157.73 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 110.958 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.588 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -163.58 -169.83 2.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -75.12 -14.25 60.55 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 124.693 1.246 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -44.77 95.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.417 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 2.1 mt-10 -63.3 -32.98 74.54 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.517 1.135 . . . . 0.0 110.199 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 76' ' ' LEU . 0.7 OUTLIER -55.92 -48.56 75.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.624 ' O ' HD21 ' A' ' 80' ' ' LEU . 14.9 tt0 -51.38 -32.66 26.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.279 0.987 . . . . 0.0 110.279 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 78' ' ' ILE . 0.5 OUTLIER -89.82 -30.77 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 75' ' ' GLU . 19.1 m120 -70.2 60.52 0.19 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 124.488 1.117 . . . . 0.0 109.197 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.624 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -159.43 80.44 0.74 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.725 1.266 . . . . 0.0 109.428 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.624 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -50.85 -41.81 58.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.783 1.302 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.478 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -166.57 -170.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.191 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 80' ' ' LEU . 11.2 m-85 -163.33 151.83 13.95 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.625 1.203 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.705 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -109.28 -16.95 13.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.329 1.018 . . . . 0.0 109.402 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.22 -138.84 3.66 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.507 1.129 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -122.4 156.94 32.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.666 0.863 . . . . 0.0 110.314 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.039 HD11 HD11 ' A' ' 94' ' ' ILE . 7.5 tt -131.4 158.37 43.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -143.41 169.14 18.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.469 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.32 138.52 25.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.213 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.477 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 2.5 t70 -108.93 179.66 4.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.49 -47.84 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.115 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.54 64.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.162 . . . . 0.0 109.337 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.477 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -173.28 167.14 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.624 1.203 . . . . 0.0 110.245 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.039 HD11 HD11 ' A' ' 87' ' ' ILE . 1.4 tt -142.92 122.21 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.706 1.254 . . . . 0.0 109.341 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.37 167.82 13.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 1.186 . . . . 0.0 110.219 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.901 ' CZ ' HD12 ' A' ' 87' ' ' ILE . 25.5 m-85 -129.41 157.15 42.76 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.429 1.081 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 8.9 p90 -163.88 129.67 3.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.68 1.237 . . . . 0.0 110.975 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -90.66 -28.28 18.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.35 1.031 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.21 169.78 0.55 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.68 ' HE2' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -138.48 -168.61 2.42 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.606 1.191 . . . . 0.0 109.489 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.68 HG22 ' HE2' ' A' ' 100' ' ' LYS . 2.6 t -37.02 140.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.232 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.45 -0.448 0 O-C-N 124.587 1.179 . . . . 0.0 111.053 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m 58.3 97.66 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.04 130.04 13.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -146.65 169.27 19.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 124.33 1.019 . . . . 0.0 109.359 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -143.08 146.01 33.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.622 1.201 . . . . 0.0 109.197 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -122.34 88.18 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.644 1.215 . . . . 0.0 110.275 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.484 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -109.2 48.96 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.692 1.245 . . . . 0.0 109.274 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 8' ' ' LEU . 1.6 mp -115.11 101.94 9.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.113 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.579 ' CG ' ' N ' ' A' ' 10' ' ' ASN . 6.0 t-80 172.96 169.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.739 1.274 . . . . 0.0 109.561 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.579 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 1.1 m-20 -40.46 136.35 1.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 109.196 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 10.3 m-20 -161.68 -69.74 0.06 Allowed 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.426 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 52' ' ' ALA . 1.8 p30 -172.9 146.69 1.58 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.609 1.193 . . . . 0.0 109.196 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 53' ' ' GLU . 1.8 m -102.39 138.08 27.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.67 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -126.76 78.28 0.38 Allowed Glycine 0 CA--C 1.527 0.844 0 O-C-N 124.339 1.025 . . . . 0.0 111.072 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.876 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.4 Cg_endo -75.14 137.81 21.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.876 HD13 ' O ' ' A' ' 15' ' ' PRO . 5.7 mm -126.38 127.79 70.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.603 HG22 ' HA ' ' A' ' 80' ' ' LEU . 2.9 pt -141.26 -161.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 109.425 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -111.85 163.27 14.38 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.255 0.972 . . . . 0.0 110.347 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.433 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -84.99 106.36 16.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 1.128 . . . . 0.0 109.215 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.14 -85.98 0.96 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.681 1.238 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.96 130.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 0.0 109.208 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER 66.16 20.99 11.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.412 1.07 . . . . 0.0 109.496 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.787 HG11 HG21 ' A' ' 48' ' ' VAL . 1.3 t -78.81 -12.14 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.398 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.526 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -74.67 -58.25 1.78 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.772 1.295 . . . . 0.0 110.484 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.526 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.8 Cg_endo -75.09 -13.0 21.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.61 1.847 . . . . 0.0 111.014 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.004 HG13 HD21 ' A' ' 63' ' ' LEU . 5.9 t -86.09 -40.31 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 O-C-N 124.369 1.043 . . . . 0.0 109.445 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 24' ' ' GLU . 8.8 tp -73.25 -43.52 56.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.874 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.23 -37.21 86.33 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.671 1.232 . . . . 0.0 110.421 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.3 m -81.87 -28.56 32.91 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.32 1.012 . . . . 0.0 110.336 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -77.95 -17.05 57.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.12 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.729 ' OE2' HG21 ' A' ' 39' ' ' ILE . 6.4 mm-40 -87.1 -40.52 14.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.683 1.239 . . . . 0.0 110.377 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 28' ' ' GLU . 8.3 pt -64.97 -34.08 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.377 1.048 . . . . 0.0 109.342 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.494 ' OD1' ' CZ ' ' A' ' 60' ' ' ARG . 19.4 t0 -47.58 -26.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.423 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.41 158.85 43.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.223 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 53.35 3.37 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.463 1.77 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.85 61.29 1.4 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.08 50.23 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.23 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 178.95 51.23 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 124.418 1.073 . . . . 0.0 110.327 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.729 HG21 ' OE2' ' A' ' 31' ' ' GLU . 21.1 mt -117.1 144.44 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.661 1.226 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.9 m -116.91 111.92 20.32 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.568 1.167 . . . . 0.0 110.359 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -92.3 158.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.338 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.36 72.08 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.549 1.156 . . . . 0.0 110.215 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -93.03 111.12 22.64 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 4.8 tpt180 -81.04 -60.19 2.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.428 1.08 . . . . 0.0 110.299 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 160.16 -50.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.375 1.047 . . . . 0.0 110.324 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 47' ' ' TYR . . . -79.28 -22.26 44.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.38 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 18.9 m-85 -144.22 174.54 10.8 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.26 0.975 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.787 HG21 HG11 ' A' ' 23' ' ' VAL . 64.2 t -129.11 128.98 67.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 59.8 ttt-85 -128.14 157.26 41.27 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.407 1.067 . . . . 0.0 110.276 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 43.1 mt -145.97 161.0 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 124.768 1.292 . . . . 0.0 109.181 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -166.55 122.12 1.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.772 1.295 . . . . 0.0 109.009 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' A' ' 12' ' ' ASN . . . -174.19 -169.53 0.47 Allowed 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 124.375 1.047 . . . . 0.0 109.234 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.591 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -38.98 153.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.08 49.01 0.98 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.684 1.24 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -173.41 85.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.136 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 175.81 8.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.596 HD13 ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -151.87 140.13 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.596 ' N ' HD13 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -130.09 161.0 32.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 124.413 1.07 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.414 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 31.4 p -150.28 20.06 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.618 1.199 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.494 ' CZ ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -87.73 42.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 110.476 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.06 64.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.48 -34.19 65.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.245 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.004 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -70.54 -46.57 63.34 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.562 1.164 . . . . 0.0 109.548 179.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -67.54 -37.56 82.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' ARG . 4.9 mt-10 -68.05 -41.07 82.58 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 mt-30 -63.0 -51.03 68.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 110.144 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 64' ' ' GLU . 21.6 mt -41.73 -28.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.351 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.67 65.84 0.3 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 8.1 mtm180 -53.95 -43.43 96.68 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 124.418 0.717 . . . . 0.0 110.186 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 17.8 Cg_endo -75.09 61.82 5.81 Favored 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.672 1.88 . . . . 0.0 110.866 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.03 -160.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 0.0 111.007 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.586 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -144.78 -165.27 2.11 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -14.42 49.01 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.47 1.106 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.45 -33.41 74.77 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.606 1.191 . . . . 0.0 110.293 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.98 -28.69 65.74 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.38 1.05 . . . . 0.0 110.305 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.3 mt -62.5 -52.0 65.2 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.67 -11.52 60.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.98 -44.13 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.679 1.237 . . . . 0.0 109.412 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -75.09 62.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.688 1.243 . . . . 0.0 109.207 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 80' ' ' LEU . 1.1 pp -151.85 154.4 36.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.87 -57.21 2.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.492 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -157.95 -166.05 1.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 110.057 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 82' ' ' SER . 42.1 m-85 -163.59 157.23 19.22 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.416 1.072 . . . . 0.0 111.099 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -110.03 -2.73 16.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.227 0.954 . . . . 0.0 109.4 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.12 -144.76 4.0 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.485 1.116 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -120.65 165.92 14.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.682 0.871 . . . . 0.0 110.335 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pp -147.61 134.5 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.742 1.276 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -127.2 157.67 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.388 1.055 . . . . 0.0 110.101 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.09 142.17 51.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.397 1.061 . . . . 0.0 109.416 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 93' ' ' GLN . 4.1 t0 -105.31 -177.74 3.45 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.666 1.228 . . . . 0.0 109.299 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.56 -49.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -153.35 61.46 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.365 1.041 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.464 ' CD ' ' CB ' ' A' ' 90' ' ' ASP . 1.2 pt20 -168.7 167.44 11.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.408 1.068 . . . . 0.0 110.097 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.552 HG23 HD12 ' A' ' 58' ' ' LEU . 1.2 tp -138.16 122.81 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.468 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.95 144.72 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.396 1.06 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -115.94 146.95 41.65 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -165.82 162.22 18.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 51.4 t80 -131.74 83.3 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.51 135.46 28.37 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.526 1.141 . . . . 0.0 109.145 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 101' ' ' THR . 1.4 pttt -76.98 -168.51 1.08 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.588 1.18 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 100' ' ' LYS . 3.1 t -36.12 147.03 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.66 1.225 . . . . 0.0 110.547 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 C--N 1.323 -0.557 0 O-C-N 124.443 1.089 . . . . 0.0 110.846 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -74.97 126.79 31.76 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.86 158.89 24.02 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.26 144.19 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 109.038 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.18 142.33 30.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 6.9 mt-30 -142.2 147.75 37.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . 176.64 72.45 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.499 1.124 . . . . 0.0 109.383 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -124.33 172.6 8.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.356 1.035 . . . . 0.0 109.406 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.536 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER 66.81 124.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.657 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 58.46 101.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.564 1.165 . . . . 0.0 109.383 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -144.32 -78.57 0.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' ALA . 16.5 p-10 -158.19 127.14 5.62 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.534 1.146 . . . . 0.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.008 HG22 ' HB3' ' A' ' 52' ' ' ALA . 3.5 m -89.69 177.03 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.658 1.224 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.747 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -172.41 71.44 0.1 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.302 1.001 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.538 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.3 Cg_endo -75.18 135.5 18.84 Favored 'Trans proline' 0 C--N 1.362 1.258 0 O-C-N 124.362 1.717 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.538 HD13 ' O ' ' A' ' 15' ' ' PRO . 9.3 mm -124.8 140.9 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 124.386 1.053 . . . . 0.0 109.1 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 16' ' ' ILE . 11.4 pt -153.71 -171.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.209 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.58 153.31 20.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -71.43 129.46 38.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.078 . . . . 0.0 109.436 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.29 -87.94 2.02 Favored Glycine 0 CA--C 1.528 0.866 0 O-C-N 124.693 1.246 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -179.95 134.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.3 mt 66.21 19.69 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.394 1.058 . . . . 0.0 109.536 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.62 HG11 HG21 ' A' ' 48' ' ' VAL . 1.4 t -79.11 -9.54 12.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -79.58 -57.7 0.69 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.294 0.996 . . . . 0.0 110.356 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -75.03 -11.28 21.41 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.244 1.655 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.038 HG13 HD11 ' A' ' 63' ' ' LEU . 22.1 t -89.88 -44.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.518 1.136 . . . . 0.0 109.488 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' VAL . 5.0 tp -68.36 -32.35 55.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -73.43 -41.67 62.97 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.424 1.077 . . . . 0.0 110.202 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 m -77.57 -24.39 49.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.625 1.203 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.51 -32.29 36.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.455 1.097 . . . . 0.0 109.397 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.639 ' OE2' HG21 ' A' ' 39' ' ' ILE . 13.0 mm-40 -70.2 -44.69 68.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.337 1.023 . . . . 0.0 110.229 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 28' ' ' GLU . 21.6 pt -61.22 -40.91 87.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.408 1.067 . . . . 0.0 109.38 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 32' ' ' ILE . 7.8 t70 -52.11 -27.63 14.79 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.417 1.073 . . . . 0.0 109.465 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -112.06 156.84 41.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 47.99 1.87 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.405 1.739 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.51 59.96 1.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.59 43.04 1.08 Allowed 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 124.607 0.828 . . . . 0.0 109.393 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.27 38.83 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.584 1.178 . . . . 0.0 110.156 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.666 ' CD1' HD11 ' A' ' 56' ' ' LEU . 11.6 mm -94.23 150.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.434 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -112.42 112.11 23.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.398 1.061 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.9 t -112.46 146.23 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -130.9 68.67 1.48 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -82.96 105.09 13.68 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 20.6 tpt180 -80.24 -58.19 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.136 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 162.33 -48.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.32 -31.07 25.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.396 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -126.03 171.65 10.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.62 HG21 HG11 ' A' ' 23' ' ' VAL . 90.1 t -131.51 105.3 10.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 124.526 1.141 . . . . 0.0 109.233 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -97.97 149.89 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.675 1.235 . . . . 0.0 110.271 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 51' ' ' ALA . 27.6 mt -145.24 162.2 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 O-C-N 124.408 1.067 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -157.92 154.78 28.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.62 1.2 . . . . 0.0 109.387 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.008 ' HB3' HG22 ' A' ' 13' ' ' VAL . . . -145.42 151.25 37.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.18 50.47 1.86 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.536 1.148 . . . . 0.0 110.195 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.78 -83.36 0.2 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.618 1.199 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -161.02 177.5 10.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.708 0.887 . . . . 0.0 110.22 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 39' ' ' ILE . 87.6 mt -151.26 -175.09 5.03 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.362 1.039 . . . . 0.0 109.255 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.5 tp -149.54 127.45 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.263 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.643 ' HB2' HG23 ' A' ' 94' ' ' ILE . 0.7 OUTLIER -121.19 138.65 54.11 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.618 1.199 . . . . 0.0 109.431 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.3 p -133.74 8.16 3.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.61 40.2 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.199 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -23.58 44.63 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.566 1.166 . . . . 0.0 109.389 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -72.64 -41.63 65.29 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 124.243 0.964 . . . . 0.0 110.403 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.038 HD11 HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -66.72 -33.02 74.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.352 1.032 . . . . 0.0 109.426 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.696 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -84.76 -20.78 30.51 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.566 1.166 . . . . 0.0 110.261 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.64 -33.12 23.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.2 mt-30 -76.76 -45.33 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.608 1.192 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 26' ' ' VAL . 20.7 mt -44.53 -26.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -154.77 64.99 0.33 Allowed Glycine 0 CA--C 1.533 1.159 0 O-C-N 124.438 1.086 . . . . 0.0 110.926 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.637 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 28.6 mtm105 -55.61 -42.85 98.16 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.558 0.799 . . . . 0.0 110.2 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.95 62.42 5.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.701 1.895 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.14 -159.15 0.74 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 110.956 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.55 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.23 -160.5 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 109.185 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.7 ptp -75.15 -20.48 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.35 1.031 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.97 -58.5 7.9 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.594 1.184 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.46 -33.28 20.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.34 1.025 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.09 -52.26 66.28 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.582 1.176 . . . . 0.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.744 ' O ' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -80.52 -28.08 37.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.691 1.245 . . . . 0.0 110.365 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.643 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.5 OUTLIER -70.34 -64.14 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.665 1.228 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.643 ' N ' HG22 ' A' ' 78' ' ' ILE . 97.1 m-20 -72.61 85.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.792 HD23 ' C ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -160.34 170.05 21.86 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.635 1.209 . . . . 0.0 109.321 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.96 -71.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.441 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.562 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -151.98 -162.92 1.62 Allowed 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 124.563 1.164 . . . . 0.0 109.996 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 82' ' ' SER . 40.4 m-85 -166.54 167.88 15.15 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.747 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -116.61 -38.83 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -116.23 -155.05 10.41 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.58 1.175 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -108.92 165.31 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 110.174 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.502 ' CG2' ' CE1' ' A' ' 96' ' ' PHE . 5.8 pt -136.96 147.3 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 O-C-N 124.517 1.136 . . . . 0.0 109.144 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -142.27 152.54 43.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.49 132.51 51.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 109.246 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.489 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 17.3 t0 -101.41 -176.74 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.635 1.209 . . . . 0.0 109.225 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -33.93 -46.16 0.22 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.502 1.127 . . . . 0.0 110.198 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.05 60.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.394 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 2.2 pt20 -166.77 170.07 12.75 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.643 HG23 ' HB2' ' A' ' 58' ' ' LEU . 4.4 tt -143.35 104.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.377 1.048 . . . . 0.0 109.253 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 140.48 30.02 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.502 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 2.5 m-30 -117.61 147.39 42.9 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.651 1.219 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 8.6 p90 -171.04 151.46 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.37 1.044 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.812 ' HB2' HG12 ' A' ' 13' ' ' VAL . 56.5 t80 -112.91 92.58 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.64 1.213 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.11 128.15 45.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.319 1.012 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -60.73 -67.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.391 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.7 t -86.8 121.23 29.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.742 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.8 m -129.18 115.03 17.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.306 1.004 . . . . 0.0 110.478 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -173.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.268 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.25 169.3 17.1 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 124.531 1.144 . . . . 0.0 109.602 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -73.41 176.08 6.37 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.197 0.936 . . . . 0.0 109.178 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -175.92 169.28 2.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 49.97 92.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.308 1.005 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.34 -78.18 0.11 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.9 t60 66.06 174.69 0.23 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.421 1.075 . . . . 0.0 109.581 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -78.86 -169.59 1.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.631 1.207 . . . . 0.0 109.363 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -157.06 -87.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.45 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -147.63 130.76 16.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 109.409 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.79 HG12 ' HB2' ' A' ' 98' ' ' PHE . 28.0 m -90.22 -177.58 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 O-C-N 124.339 1.024 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' CA ' ' HB3' ' A' ' 84' ' ' ALA . . . -177.06 92.01 0.09 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.44 1.087 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.545 ' O ' HD12 ' A' ' 16' ' ' ILE . 18.0 Cg_endo -75.21 127.37 10.49 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.544 1.813 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.677 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -111.27 89.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 124.463 1.102 . . . . 0.0 109.228 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.5 pt -115.58 -175.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 109.226 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.88 -167.27 1.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 46' ' ' ALA . . . -120.34 97.52 5.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.12 -86.91 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.072 . . . . 0.0 111.05 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -179.88 137.01 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.819 0.952 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER 66.52 18.39 10.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.333 1.021 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.452 HG11 HG21 ' A' ' 48' ' ' VAL . 1.3 t -78.68 -10.56 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.594 1.184 . . . . 0.0 109.389 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.522 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -76.9 -58.55 1.04 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 110.476 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.5 Cg_endo -74.87 -11.93 21.76 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.275 1.671 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.066 HG13 HD21 ' A' ' 63' ' ' LEU . 17.7 t -88.64 -41.46 14.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.561 HD11 HD13 ' A' ' 50' ' ' ILE . 1.9 tp -72.98 -36.54 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.478 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.791 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -73.0 -33.98 66.13 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.405 ' O ' HG12 ' A' ' 32' ' ' ILE . 95.0 m -83.07 -28.09 29.8 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 124.389 1.055 . . . . 0.0 110.301 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.94 -18.39 56.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.643 1.214 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' OE2' HD12 ' A' ' 39' ' ' ILE . 14.0 mm-40 -84.67 -41.65 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 28' ' ' GLU . 9.8 pt -62.65 -35.68 71.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.309 1.006 . . . . 0.0 109.123 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 32' ' ' ILE . 6.7 t70 -48.74 -26.4 2.32 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.627 1.204 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -117.47 170.19 6.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.87 54.2 3.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.352 1.711 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.36 62.68 1.44 Allowed Glycine 0 CA--C 1.527 0.786 0 O-C-N 124.452 1.095 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 44.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 0.716 . . . . 0.0 109.4 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.39 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.668 HD13 ' CB ' ' A' ' 52' ' ' ALA . 31.6 mm -83.46 149.11 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.2 m -127.5 111.42 13.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.407 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.3 t -101.84 158.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.33 84.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.3 111.21 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 24.0 tpt180 -81.38 -58.75 2.9 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.414 1.071 . . . . 0.0 110.191 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER 158.57 -58.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.428 1.08 . . . . 0.0 110.192 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.781 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -89.83 -38.06 14.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.402 ' HA ' ' N ' ' A' ' 19' ' ' ALA . 6.7 m-85 -115.6 173.97 6.26 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.36 1.037 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.452 HG21 HG11 ' A' ' 23' ' ' VAL . 24.0 t -124.98 131.73 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.354 1.034 . . . . 0.0 109.179 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -124.67 131.38 53.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.43 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.561 HD13 HD11 ' A' ' 27' ' ' ILE . 2.0 mt -125.91 161.87 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.632 1.208 . . . . 0.0 109.373 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -163.93 144.1 8.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.397 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.668 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . 179.8 -171.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.362 1.039 . . . . 0.0 109.446 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.506 ' O ' HG22 ' A' ' 13' ' ' VAL . 2.4 mt-10 -41.71 162.33 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.681 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -103.35 33.84 6.25 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.313 1.008 . . . . 0.0 111.079 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' H ' HD22 ' A' ' 56' ' ' LEU . 13.6 tt0 -163.44 75.0 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.512 0.771 . . . . 0.0 110.159 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.448 HD22 ' H ' ' A' ' 55' ' ' GLU . 2.4 mm? -116.47 177.37 4.72 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.619 1.2 . . . . 0.0 109.238 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -154.41 117.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 109.43 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.64 156.02 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 109.426 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.6 p -147.17 17.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.338 1.024 . . . . 0.0 110.488 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.445 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -89.62 36.43 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.289 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -23.98 63.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.403 1.065 . . . . 0.0 109.406 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -73.1 -41.92 63.53 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.681 1.238 . . . . 0.0 110.471 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.066 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -62.52 -44.28 96.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.217 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.843 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -69.43 -39.54 77.79 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.415 1.072 . . . . 0.0 110.449 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -39.0 91.89 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.476 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -66.28 -47.73 72.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 64' ' ' GLU . 14.6 mt -42.79 -27.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.05 65.3 0.31 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.574 1.172 . . . . 0.0 111.108 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.637 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 44.5 mtp180 -54.05 -43.55 97.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.2 Cg_endo -75.09 62.24 5.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.387 1.73 . . . . 0.0 110.774 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -159.06 -159.95 0.81 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.467 1.104 . . . . 0.0 111.228 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.59 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -142.19 -165.88 2.12 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.294 0.996 . . . . 0.0 109.332 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.1 ttt -82.09 -29.83 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -45.58 -48.17 14.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -48.9 -36.78 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.668 1.23 . . . . 0.0 110.215 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.39 -50.29 72.13 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.389 1.055 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 14.7 tt0 -78.75 -9.72 59.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -90.66 -59.53 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.386 1.054 . . . . 0.0 109.365 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.551 ' N ' HG22 ' A' ' 78' ' ' ILE . 13.7 m120 -70.15 65.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.411 1.069 . . . . 0.0 109.218 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -146.54 163.46 35.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.392 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -131.05 -66.64 0.74 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.407 1.067 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -141.58 -169.08 2.8 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.475 1.109 . . . . 0.0 109.937 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 82' ' ' SER . 8.3 m-85 -165.7 133.22 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.421 ' HB3' ' CA ' ' A' ' 14' ' ' GLY . . . -96.75 29.05 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.409 1.068 . . . . 0.0 109.274 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.59 -174.63 45.75 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.369 1.043 . . . . 0.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -103.97 139.25 39.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.812 0.948 . . . . 0.0 110.197 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.447 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 1.7 pp -121.06 134.54 64.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.499 1.124 . . . . 0.0 109.105 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 22.5 pt20 -126.4 144.35 50.86 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.68 1.238 . . . . 0.0 110.256 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.78 142.66 46.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -119.33 -175.06 2.86 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.174 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 90' ' ' ASP . 3.2 pt-20 -29.59 -59.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -148.39 61.41 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.315 1.01 . . . . 0.0 109.437 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.476 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 13.7 pt20 -171.35 171.59 5.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.298 0.999 . . . . 0.0 110.307 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 4.1 tt -147.22 110.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.624 1.203 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.45 139.43 31.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.429 1.081 . . . . 0.0 110.286 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.447 ' CZ ' HG21 ' A' ' 87' ' ' ILE . 4.5 m-85 -110.4 145.03 38.28 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.41 1.069 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 9.4 p90 -170.62 142.39 2.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 0.0 111.119 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.79 ' HB2' HG12 ' A' ' 13' ' ' VAL . 15.1 t80 -113.34 82.04 1.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.25 130.05 35.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.424 1.078 . . . . 0.0 109.413 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -57.34 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.697 1.248 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -78.52 163.1 25.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.607 1.192 . . . . 0.0 110.468 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.596 1.185 . . . . 0.0 110.771 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 t -116.71 -34.47 4.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.407 1.067 . . . . 0.0 110.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -159.89 157.57 29.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.207 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.96 78.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.292 0.995 . . . . 0.0 109.366 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -159.24 125.86 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.04 62.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.536 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.75 81.19 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.672 1.232 . . . . 0.0 109.254 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.62 -89.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.387 1.055 . . . . 0.0 109.254 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 100' ' ' LYS . 92.2 m-70 -104.61 111.81 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.657 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.516 ' ND2' ' CZ ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -179.5 38.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.387 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -126.79 -48.2 1.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.9 p30 179.95 142.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.071 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 52' ' ' ALA . 8.3 m -98.71 170.62 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 124.398 1.061 . . . . 0.0 109.285 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.4 87.62 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' C ' HD13 ' A' ' 16' ' ' ILE . 18.8 Cg_endo -74.89 113.47 3.8 Favored 'Trans proline' 0 C--N 1.358 1.051 0 O-C-N 124.689 1.889 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.478 ' C ' ' HB3' ' A' ' 81' ' ' ALA . 8.9 mm -108.01 132.37 55.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.466 1.104 . . . . 0.0 109.21 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.647 HG22 ' HA ' ' A' ' 80' ' ' LEU . 13.0 pt -145.75 -171.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.92 165.59 11.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.582 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -94.09 127.06 39.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.667 1.23 . . . . 0.0 109.4 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.72 -80.28 1.41 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.559 1.162 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 179.62 -37.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.205 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.1 mm? -116.74 15.5 15.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.589 1.181 . . . . 0.0 109.274 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.627 HG11 HG21 ' A' ' 48' ' ' VAL . 2.1 t -77.84 -10.04 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.146 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.556 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -76.91 -59.35 0.94 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.252 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.556 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -75.0 -10.32 21.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.062 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.827 HG13 HD11 ' A' ' 63' ' ' LEU . 17.6 t -90.45 -46.2 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.225 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 23' ' ' VAL . 6.5 tp -66.99 -33.49 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.15 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.675 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -72.17 -42.86 65.39 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.593 1.183 . . . . 0.0 110.371 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.9 m -74.89 -26.29 59.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.11 -20.51 52.04 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.286 0.991 . . . . 0.0 109.374 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -83.08 -39.55 21.02 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.699 1.249 . . . . 0.0 110.438 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 28' ' ' GLU . 10.5 pt -68.87 -36.22 73.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.725 1.266 . . . . 0.0 109.471 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -25.12 51.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.728 1.268 . . . . 0.0 109.2 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.19 147.34 36.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.686 1.241 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 54.8 3.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.412 1.743 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.88 60.31 1.7 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.151 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 50.65 1.55 Allowed 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.677 0.869 . . . . 0.0 109.354 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.513 ' C ' HD12 ' A' ' 39' ' ' ILE . 5.3 pt-20 179.22 47.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.589 1.18 . . . . 0.0 110.438 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.513 HD12 ' C ' ' A' ' 38' ' ' GLU . 1.3 mp -137.1 148.96 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 O-C-N 124.582 1.176 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.846 HG22 ' HB3' ' A' ' 51' ' ' ALA . 14.5 t -113.19 166.79 11.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 110.556 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.712 HG22 HG12 ' A' ' 50' ' ' ILE . 43.9 t -149.74 134.72 10.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 124.433 1.083 . . . . 0.0 109.402 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -113.78 74.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.404 1.065 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.36 102.6 13.54 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.611 1.194 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 6.3 tpm_? -83.85 -59.77 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 4.5 mtt180 158.99 -51.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -78.61 -35.66 45.31 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.673 1.233 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -129.58 169.8 14.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.627 HG21 HG11 ' A' ' 23' ' ' VAL . 57.5 t -128.63 119.81 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.408 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 22.4 ttt180 -117.09 149.45 40.3 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.334 1.021 . . . . 0.0 110.29 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.712 HG12 HG22 ' A' ' 41' ' ' VAL . 96.9 mt -143.68 160.58 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.369 1.043 . . . . 0.0 109.439 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.846 ' HB3' HG22 ' A' ' 40' ' ' THR . . . -144.24 128.23 17.5 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.726 1.266 . . . . 0.0 109.168 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.82 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -130.41 116.3 18.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.276 0.985 . . . . 0.0 109.242 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.42 55.12 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.447 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.77 -96.03 0.12 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.627 1.204 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -166.11 173.21 10.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.676 0.868 . . . . 0.0 110.297 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.4 mt -152.25 -179.57 7.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.669 1.23 . . . . 0.0 109.197 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -156.44 107.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.542 ' HB2' HG23 ' A' ' 94' ' ' ILE . 4.8 mt -104.86 135.9 45.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.088 . . . . 0.0 109.146 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.1 p -135.21 15.18 3.5 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.408 1.067 . . . . 0.0 110.496 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.08 44.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.594 1.184 . . . . 0.0 110.261 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -23.58 62.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.063 . . . . 0.0 109.379 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -48.22 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.612 1.195 . . . . 0.0 110.423 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.827 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.3 -47.21 87.0 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.536 1.148 . . . . 0.0 109.5 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.759 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.87 -35.66 81.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.399 1.062 . . . . 0.0 110.322 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.51 -39.73 77.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 0.0 110.474 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.3 mt-30 -65.6 -47.95 73.96 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.073 . . . . 0.0 110.148 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.68 HD11 HG21 ' A' ' 26' ' ' VAL . 71.3 mt -41.2 -29.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.606 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.33 65.86 0.3 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.305 1.003 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.632 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 3.7 mtm105 -53.6 -43.49 95.99 Favored Pre-proline 0 C--N 1.321 -0.652 0 O-C-N 124.486 0.757 . . . . 0.0 110.165 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.86 63.12 5.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.369 1.72 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.62 -164.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.726 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.502 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -144.57 -165.92 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.181 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.3 ptt? -79.97 -10.3 59.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.657 1.223 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -37.18 86.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.16 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 1.5 mt-10 -67.88 -28.48 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 110.145 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.01 -54.07 46.75 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.715 1.259 . . . . 0.0 109.321 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.619 ' O ' HD21 ' A' ' 80' ' ' LEU . 5.0 tt0 -70.5 -13.96 62.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.398 1.061 . . . . 0.0 110.147 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.55 -32.33 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 O-C-N 124.331 1.019 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' GLU . 65.6 m-20 -86.09 68.56 10.33 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.308 1.005 . . . . 0.0 109.445 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.647 ' HA ' HG22 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -141.69 164.06 31.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HB3' ' C ' ' A' ' 16' ' ' ILE . . . -134.44 -52.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.707 1.255 . . . . 0.0 109.195 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.537 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -165.67 177.59 7.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.309 1.006 . . . . 0.0 110.131 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 82' ' ' SER . 71.3 m-85 -165.45 144.0 6.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.59 1.181 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 9' ' ' HIS . . . -94.94 -64.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.33 -135.35 2.16 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.364 1.04 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -135.45 166.3 23.48 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.405 0.709 . . . . 0.0 110.414 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.753 HG22 ' CD2' ' A' ' 96' ' ' PHE . 7.7 pt -122.89 170.94 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.408 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -155.87 114.33 3.43 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.593 1.183 . . . . 0.0 110.4 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.27 140.9 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 91' ' ' GLU . 14.5 t0 -110.63 -175.31 2.69 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.492 1.12 . . . . 0.0 109.379 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.5 pt-20 -31.91 -56.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.766 1.291 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -150.76 54.24 0.89 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.395 1.059 . . . . 0.0 109.225 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.475 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.4 pt20 -154.5 -168.66 2.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.617 1.198 . . . . 0.0 110.324 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 58' ' ' LEU . 2.5 tt -162.78 119.61 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 O-C-N 124.586 1.179 . . . . 0.0 109.208 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.58 151.67 40.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.287 0.992 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.753 ' CD2' HG22 ' A' ' 87' ' ' ILE . 19.0 m-85 -123.27 153.78 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.696 1.248 . . . . 0.0 111.059 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 2.9 p90 -151.82 165.6 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.524 ' CB ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -115.07 -23.81 8.86 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.642 1.214 . . . . 0.0 111.075 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.491 ' OD2' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -76.72 111.28 12.06 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.642 1.213 . . . . 0.0 109.394 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -54.48 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.741 1.276 . . . . 0.0 109.367 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 100' ' ' LYS . 2.4 t -36.66 154.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.466 1.104 . . . . 0.0 110.464 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.8 ptm . . . . . 0 C--N 1.32 -0.688 0 O-C-N 124.557 1.161 . . . . 0.0 110.934 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p -57.71 158.76 5.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.355 1.034 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.42 125.79 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.36 -169.76 2.69 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.574 1.172 . . . . 0.0 109.5 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -170.63 175.93 4.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.384 1.052 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.29 151.75 25.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.689 1.243 . . . . 0.0 110.065 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.48 39.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.29 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -95.04 -176.59 3.88 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 124.55 1.157 . . . . 0.0 109.44 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.5 m80 62.04 174.37 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.382 1.051 . . . . 0.0 109.595 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -72.47 170.71 13.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -178.73 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.393 1.058 . . . . 0.0 109.234 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -147.37 139.81 24.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.441 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.491 HG13 ' HB2' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -123.27 178.74 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.322 1.014 . . . . 0.0 109.271 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.621 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -159.61 84.36 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.675 ' C ' HD13 ' A' ' 16' ' ' ILE . 18.8 Cg_endo -74.66 125.05 9.24 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.439 1.757 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.675 HD13 ' C ' ' A' ' 15' ' ' PRO . 4.7 mm -113.32 123.3 68.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.695 HG22 ' HG ' ' A' ' 80' ' ' LEU . 1.1 pt -138.68 171.76 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -67.29 170.41 7.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.708 1.255 . . . . 0.0 110.388 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.791 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -107.73 156.83 18.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.49 -90.07 0.86 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 111.052 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 179.64 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.48 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 8.3 mp -111.29 20.63 17.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.356 1.035 . . . . 0.0 109.354 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.793 HG11 HG21 ' A' ' 48' ' ' VAL . 1.7 t -78.29 -9.58 12.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.746 1.278 . . . . 0.0 109.219 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -77.61 -58.45 0.92 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.693 1.246 . . . . 0.0 110.45 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -74.85 -11.62 21.78 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.372 1.722 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.9 HG13 HD11 ' A' ' 63' ' ' LEU . 8.6 t -89.59 -45.86 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.142 . . . . 0.0 109.204 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 23' ' ' VAL . 6.0 tp -66.33 -35.09 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.691 1.245 . . . . 0.0 109.472 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -68.15 -47.26 68.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.32 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 m -71.81 -28.41 63.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.14 . . . . 0.0 110.477 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.99 -16.56 58.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.254 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -85.55 -37.6 19.44 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.56 1.162 . . . . 0.0 110.342 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 28' ' ' GLU . 8.1 pt -69.36 -30.38 45.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.633 1.208 . . . . 0.0 109.357 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.78 -27.14 63.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.2 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.01 159.42 32.28 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.231 0.957 . . . . 0.0 109.243 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -0.05 9.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.322 1.696 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.765 ' O ' HD12 ' A' ' 39' ' ' ILE . . . -79.68 52.52 4.17 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.44 1.087 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 56.39 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.611 0.83 . . . . 0.0 109.198 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -179.95 50.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.68 1.238 . . . . 0.0 110.316 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.765 HD12 ' O ' ' A' ' 36' ' ' GLY . 1.8 mt -114.58 150.63 16.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.529 1.143 . . . . 0.0 109.44 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.3 m -112.41 113.06 25.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.529 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.455 HG22 HG23 ' A' ' 50' ' ' ILE . 46.6 t -94.05 152.62 3.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.64 80.0 1.85 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.195 0.934 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.31 105.32 6.27 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.38 1.05 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.1 tpt180 -81.64 -69.51 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 164.24 -47.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.38 1.05 . . . . 0.0 110.303 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -83.25 -40.84 19.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.18 . . . . 0.0 109.353 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 19.8 m-85 -134.18 166.81 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.793 HG21 HG11 ' A' ' 23' ' ' VAL . 95.1 t -110.38 123.53 66.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 124.629 1.206 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 29.7 ttm180 -115.55 155.05 28.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.18 . . . . 0.0 110.389 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.455 HG23 HG22 ' A' ' 41' ' ' VAL . 2.4 mt -144.62 166.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.596 1.185 . . . . 0.0 109.209 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -167.24 131.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.632 1.208 . . . . 0.0 109.158 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 39' ' ' ILE . . . -178.84 -164.31 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.427 1.08 . . . . 0.0 109.126 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.84 155.02 1.86 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.483 ' HA2' HG22 ' A' ' 13' ' ' VAL . . . -93.67 58.39 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.647 1.217 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.55 92.09 0.06 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.71 0.888 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.618 HD22 HD11 ' A' ' 39' ' ' ILE . 3.2 mt -137.36 176.59 8.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.337 1.023 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.408 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 1.1 pp -151.3 143.77 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.617 1.198 . . . . 0.0 109.268 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 136.51 47.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.607 1.192 . . . . 0.0 109.389 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.2 p -140.25 19.8 2.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.325 1.016 . . . . 0.0 110.374 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 34.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.505 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -51.91 -23.53 5.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 63' ' ' LEU . 7.1 t -67.79 -49.8 60.41 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.361 1.038 . . . . 0.0 110.471 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.9 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -74.08 -38.14 64.0 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 124.342 1.026 . . . . 0.0 109.406 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.612 ' HA ' HD12 ' A' ' 67' ' ' LEU . 2.7 mm-40 -66.94 -32.08 73.09 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.4 mm-40 -71.54 -44.24 64.96 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.684 1.24 . . . . 0.0 110.229 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.47 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.1 mm-40 -64.2 -49.17 73.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.621 1.201 . . . . 0.0 110.346 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.675 HD11 HG11 ' A' ' 26' ' ' VAL . 20.2 mt -42.81 -28.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.171 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.622 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -159.49 64.63 0.29 Allowed Glycine 0 CA--C 1.533 1.201 0 O-C-N 124.622 1.201 . . . . 0.0 111.074 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.621 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 15.4 mtm180 -51.77 -44.18 90.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 110.335 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.6 Cg_endo -74.89 56.33 4.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.656 1.872 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.78 -159.92 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.6 1.187 . . . . 0.0 110.919 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.625 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -152.67 153.09 32.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.102 . . . . 0.0 109.145 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -33.3 56.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.89 -44.04 86.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.216 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -65.66 -23.62 66.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.454 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.772 ' O ' HD13 ' A' ' 80' ' ' LEU . 1.6 mp -62.76 -54.65 35.81 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.405 1.066 . . . . 0.0 109.309 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HA ' HD22 ' A' ' 80' ' ' LEU . 33.0 tt0 -64.37 -11.88 36.99 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.572 1.17 . . . . 0.0 110.439 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.721 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -91.75 -71.5 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.411 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.721 ' N ' HG22 ' A' ' 78' ' ' ILE . 5.4 m-20 -86.69 74.45 9.83 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.452 1.095 . . . . 0.0 109.386 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -124.17 142.29 51.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.597 1.186 . . . . 0.0 109.509 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.654 ' HB3' ' C ' ' A' ' 16' ' ' ILE . . . -39.7 -71.03 0.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.411 1.069 . . . . 0.0 109.375 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.95 -166.06 0.28 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.529 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 36.1 m-85 -153.74 -174.93 5.14 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.613 1.196 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -153.57 24.98 0.52 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.95 -138.41 2.94 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.396 1.06 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -116.63 153.07 32.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.38 0.694 . . . . 0.0 110.147 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.464 ' C ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -143.4 138.21 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 94' ' ' ILE . 18.0 mt-30 -127.93 153.68 46.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.319 1.012 . . . . 0.0 110.378 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.74 139.97 49.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.171 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 91' ' ' GLU . 5.4 t0 -112.35 -179.53 3.7 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.152 . . . . 0.0 109.243 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -32.51 -46.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.26 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -155.94 66.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.63 1.206 . . . . 0.0 109.264 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.5 pt20 -176.66 166.99 2.66 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -150.74 127.65 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.702 1.251 . . . . 0.0 109.257 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.64 159.5 27.75 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 39.5 m-85 -121.35 143.0 49.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 86' ' ' GLN . 5.0 p90 -158.56 143.32 16.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.491 ' HB2' HG13 ' A' ' 13' ' ' VAL . 4.2 t80 -110.88 46.86 1.03 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.48 148.56 40.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.415 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 -80.09 0.58 Allowed 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.518 1.136 . . . . 0.0 109.588 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 101' ' ' THR . 14.8 t -68.24 104.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.532 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.612 0 O-C-N 124.377 1.048 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 t -165.56 57.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.184 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.94 151.01 35.11 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.43 1.081 . . . . 0.0 109.239 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.09 110.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -164.92 90.08 0.51 Allowed 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.44 1.088 . . . . 0.0 109.432 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.602 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.7 OUTLIER -178.63 132.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.354 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . 77.68 106.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.727 1.267 . . . . 0.0 109.364 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.33 -89.94 0.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 9.6 t-80 179.49 -67.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.406 1.066 . . . . 0.0 109.508 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 11' ' ' ASN . 7.1 t30 -163.42 161.58 24.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 10' ' ' ASN . 19.7 m-80 -163.87 -88.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.192 0.932 . . . . 0.0 109.235 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -155.66 150.68 26.57 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.459 1.099 . . . . 0.0 109.139 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.685 HG12 ' HB2' ' A' ' 98' ' ' PHE . 14.4 m -97.16 179.89 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.199 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.506 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -165.47 93.57 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.17 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.83 105.57 2.1 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.464 ' HB ' ' CB ' ' A' ' 82' ' ' SER . 23.1 mm -96.07 124.2 48.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 109.385 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.448 HG22 ' HA ' ' A' ' 80' ' ' LEU . 32.1 pt -148.8 -172.41 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 47' ' ' TYR . 8.2 ptm180 -102.08 172.64 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.665 1.228 . . . . 0.0 110.197 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.553 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -83.82 98.75 9.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.624 1.202 . . . . 0.0 109.315 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.59 -90.27 0.45 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.344 1.028 . . . . 0.0 111.178 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.96 131.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.308 0.651 . . . . 0.0 109.267 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.3 mp 66.81 22.62 10.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.485 1.116 . . . . 0.0 109.375 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG11 HG21 ' A' ' 48' ' ' VAL . 1.4 t -77.94 -9.84 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 O-C-N 124.316 1.01 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -78.38 -58.66 0.78 Allowed Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.44 1.088 . . . . 0.0 110.098 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.7 Cg_endo -75.04 -11.39 21.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.411 1.742 . . . . 0.0 110.86 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.741 HG13 HD11 ' A' ' 63' ' ' LEU . 13.9 t -88.02 -42.84 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.13 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 24' ' ' GLU . 9.3 tp -69.38 -42.86 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 109.232 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.33 -42.54 98.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.394 1.059 . . . . 0.0 110.41 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.5 m -74.6 -30.46 61.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.683 1.239 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.74 -14.99 60.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -88.39 -43.36 11.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.359 1.037 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 28' ' ' GLU . 6.1 pt -63.63 -28.4 44.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.497 1.123 . . . . 0.0 109.213 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -57.26 -44.22 83.72 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.669 1.231 . . . . 0.0 109.186 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -105.32 165.81 12.5 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.386 1.054 . . . . 0.0 109.318 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.83 52.8 3.08 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.68 60.72 1.47 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.595 1.185 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 47.9 1.37 Allowed 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.526 0.78 . . . . 0.0 109.257 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 179.2 38.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.365 1.041 . . . . 0.0 110.268 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 39' ' ' ILE . 22.7 mm -84.88 151.29 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.367 1.042 . . . . 0.0 109.458 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.425 ' HB ' ' HB3' ' A' ' 51' ' ' ALA . 49.8 m -123.57 111.86 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.349 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 50' ' ' ILE . 42.6 t -109.83 146.13 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 O-C-N 124.303 1.002 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -140.47 82.73 1.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.684 1.24 . . . . 0.0 110.237 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.09 106.52 16.62 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.395 1.059 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 30.5 tpt180 -80.28 -61.28 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.172 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 161.82 -47.43 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.507 1.13 . . . . 0.0 110.476 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.53 -53.39 6.91 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.481 1.113 . . . . 0.0 109.401 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 26.2 m-85 -121.52 171.26 8.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' ' 19' ' ' ALA . 73.3 t -117.71 123.44 71.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -118.82 111.95 19.08 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.385 1.053 . . . . 0.0 110.227 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 51' ' ' ALA . 4.7 mt -113.18 165.39 8.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.577 1.173 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.491 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -146.88 123.37 11.05 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.459 1.099 . . . . 0.0 109.421 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.96 ' HB1' ' CD2' ' A' ' 56' ' ' LEU . . . -116.51 161.2 19.5 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.555 1.16 . . . . 0.0 109.157 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 13' ' ' VAL . 5.9 pt-20 -58.21 -165.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.1 -82.92 0.04 OUTLIER Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.358 1.036 . . . . 0.0 110.948 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -110.32 145.48 37.39 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.471 0.748 . . . . 0.0 110.348 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.96 ' CD2' ' HB1' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -144.87 172.81 12.51 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.541 1.15 . . . . 0.0 109.384 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -150.87 128.55 2.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.63 1.206 . . . . 0.0 109.282 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 96' ' ' PHE . 8.1 mt -121.66 156.57 32.74 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.491 1.12 . . . . 0.0 109.194 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.7 p -145.2 19.11 1.57 Allowed 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.412 1.07 . . . . 0.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.44 44.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.773 1.296 . . . . 0.0 110.362 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -64.71 -13.74 55.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.7 t -80.44 -41.51 24.35 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.499 1.124 . . . . 0.0 110.533 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.882 HD23 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -66.65 -45.06 80.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.393 1.058 . . . . 0.0 109.185 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.882 ' N ' HD23 ' A' ' 63' ' ' LEU . 3.4 mt-10 -66.18 -40.14 90.25 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.398 1.061 . . . . 0.0 110.124 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.1 mt-10 -64.71 -42.36 95.34 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.443 1.089 . . . . 0.0 110.23 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.46 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -61.13 -52.0 66.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.209 -179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 64' ' ' GLU . 30.7 mt -40.62 -29.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.397 1.061 . . . . 0.0 109.241 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.638 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.11 64.99 0.31 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.361 1.038 . . . . 0.0 110.972 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 29.2 mtm180 -52.0 -43.79 90.31 Favored Pre-proline 0 C--N 1.322 -0.612 0 O-C-N 124.748 0.911 . . . . 0.0 110.272 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.22 55.43 4.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.483 1.781 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.73 -168.4 2.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.763 1.29 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.619 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -150.7 167.28 27.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -28.72 47.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.327 1.017 . . . . 0.0 111.0 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -49.67 -40.38 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.379 1.05 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ILE . 2.5 mm-40 -60.75 -47.0 88.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.6 mt -44.39 -45.05 8.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.637 1.21 . . . . 0.0 109.293 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.509 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 15.9 tt0 -54.9 -37.12 65.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.714 1.259 . . . . 0.0 110.116 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.737 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -85.4 -41.6 15.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.631 1.207 . . . . 0.0 109.193 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' N ' HG13 ' A' ' 78' ' ' ILE . 6.1 m-80 -77.66 69.16 3.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.198 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -154.65 178.4 10.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.424 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.47 -66.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.185 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.506 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -146.57 -176.23 5.1 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.398 1.061 . . . . 0.0 110.199 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 87' ' ' ILE . 32.7 m-85 -160.82 120.48 2.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.506 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -87.87 46.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 124.374 1.046 . . . . 0.0 109.27 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 160.58 -170.16 36.47 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.488 1.117 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 11.5 mp0 -109.99 126.7 54.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.902 HG21 ' CD2' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -125.46 130.81 72.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.346 1.029 . . . . 0.0 109.192 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.19 162.31 27.27 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.3 1.0 . . . . 0.0 110.378 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.88 146.75 44.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.239 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.514 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.6 t0 -104.79 -171.96 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.4 pt-20 -29.36 -53.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.363 1.039 . . . . 0.0 110.368 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' O ' ' CD ' ' A' ' 61' ' ' LYS . 8.2 p-10 -154.12 65.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.381 1.051 . . . . 0.0 109.221 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.499 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -169.44 167.3 10.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.789 1.306 . . . . 0.0 110.195 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.79 120.04 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.91 162.26 18.43 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.577 1.173 . . . . 0.0 110.104 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.902 ' CD2' HG21 ' A' ' 87' ' ' ILE . 6.4 m-85 -130.95 159.54 37.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 29.5 p90 -178.32 138.05 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.682 1.239 . . . . 0.0 111.184 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.685 ' HB2' HG12 ' A' ' 13' ' ' VAL . 49.7 t80 -116.71 93.02 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.323 1.014 . . . . 0.0 111.208 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 0.6 OUTLIER -133.81 152.38 51.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.514 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HE2' ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -95.19 -87.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.406 1.066 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.2 t -76.17 129.75 37.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 O-C-N 124.265 0.978 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -61.83 136.82 58.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.437 1.086 . . . . 0.0 110.66 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.48 -178.56 6.73 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 124.518 1.136 . . . . 0.0 109.464 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.86 -178.83 3.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.464 1.102 . . . . 0.0 109.37 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.26 174.63 5.89 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 124.381 1.051 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -154.46 179.62 8.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.355 1.034 . . . . 0.0 110.281 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.473 ' H ' HD12 ' A' ' 8' ' ' LEU . . . -146.54 76.79 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.196 . . . . 0.0 109.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD12 ' H ' ' A' ' 7' ' ' ALA . 2.6 mp -142.15 -165.56 2.04 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.683 1.239 . . . . 0.0 109.195 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' ASN . 42.4 m170 65.11 164.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.403 1.064 . . . . 0.0 109.688 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -53.15 91.16 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 124.348 1.03 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.518 ' N ' ' CD2' ' A' ' 98' ' ' PHE . 2.7 m-20 -127.55 -80.7 0.59 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.591 1.182 . . . . 0.0 109.38 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -159.21 157.7 31.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.617 1.198 . . . . 0.0 109.171 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 ' HB3' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -115.18 138.75 44.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.779 1.299 . . . . 0.0 109.296 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.684 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -140.19 86.97 0.2 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 1.008 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.3 Cg_endo -75.21 140.28 24.72 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.521 1.8 . . . . 0.0 110.96 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.008 HD13 ' O ' ' A' ' 15' ' ' PRO . 5.3 mm -130.73 130.61 64.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.429 1.081 . . . . 0.0 109.4 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 16' ' ' ILE . 12.3 pt -160.07 156.74 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' CD ' ' HB3' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -53.78 177.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.376 1.047 . . . . 0.0 110.18 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.016 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -148.39 154.62 40.17 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.38 1.05 . . . . 0.0 109.214 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.25 58.48 0.26 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.457 1.098 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.474 ' O ' HD22 ' A' ' 67' ' ' LEU . 5.3 t0 -170.87 39.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.38 0.694 . . . . 0.0 109.224 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.49 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 1.4 mp 64.6 23.61 12.86 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.65 HG12 HG21 ' A' ' 48' ' ' VAL . 1.4 t -78.26 -10.58 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.387 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.533 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.4 mt-10 -75.55 -58.33 1.44 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.523 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.2 Cg_endo -75.29 -12.28 20.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.935 HG13 HD11 ' A' ' 63' ' ' LEU . 3.9 t -87.45 -46.69 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.654 ' CG1' HD11 ' A' ' 50' ' ' ILE . 5.2 tp -64.92 -37.53 80.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.404 1.065 . . . . 0.0 109.454 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -68.82 -38.53 79.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.654 1.221 . . . . 0.0 110.241 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.9 m -74.89 -29.28 60.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.187 . . . . 0.0 110.484 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.31 -22.75 61.14 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.471 1.107 . . . . 0.0 109.398 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -80.44 -48.43 12.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.215 0.947 . . . . 0.0 110.255 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.686 HG23 ' O ' ' A' ' 28' ' ' GLU . 4.8 pt -60.09 -30.6 46.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 124.586 1.179 . . . . 0.0 109.464 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.444 ' CB ' ' NH2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -65.33 -44.2 88.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.616 1.197 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.71 164.7 28.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.252 0.97 . . . . 0.0 109.353 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 53.5 3.37 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 39' ' ' ILE . . . -95.35 56.3 1.73 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.125 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 40.93 1.04 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.41 0.712 . . . . 0.0 109.482 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 179.77 54.26 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.238 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 52' ' ' ALA . 1.7 mp -131.95 156.55 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.7 m -117.92 112.89 20.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.699 1.25 . . . . 0.0 110.392 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.428 HG22 HG23 ' A' ' 50' ' ' ILE . 29.8 t -95.69 144.44 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 49' ' ' ARG . 4.1 mm-40 -132.14 76.85 1.72 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -97.21 101.18 12.68 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.701 1.251 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 5.5 tpt180 -80.41 -56.94 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.415 1.072 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 161.12 -49.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 -50.81 31.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.276 0.985 . . . . 0.0 109.227 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -124.86 167.16 15.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.432 1.082 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.016 HG23 ' HB2' ' A' ' 19' ' ' ALA . 70.8 t -125.69 120.16 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.668 1.23 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -127.31 150.74 49.45 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.343 1.027 . . . . 0.0 110.383 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.654 HD11 ' CG1' ' A' ' 27' ' ' ILE . 14.4 mt -134.14 170.63 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.334 1.022 . . . . 0.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.513 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -149.29 88.05 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.469 1.106 . . . . 0.0 109.231 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.845 ' HB3' HD11 ' A' ' 56' ' ' LEU . . . -97.15 -172.56 2.46 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.521 1.138 . . . . 0.0 109.471 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -78.64 -45.37 21.65 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' HA3' ' CG ' ' A' ' 98' ' ' PHE . . . 151.24 -38.86 0.82 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.389 1.056 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -86.5 101.46 13.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 0.718 . . . . 0.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 52' ' ' ALA . 10.0 mt -137.02 160.36 39.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.332 1.02 . . . . 0.0 109.229 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.744 HD11 ' NE2' ' A' ' 93' ' ' GLN . 0.3 OUTLIER -155.56 129.83 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.699 ' N ' HD13 ' A' ' 57' ' ' ILE . 3.8 mt -131.43 150.12 52.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.8 p -148.6 18.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.473 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -82.05 50.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.396 1.06 . . . . 0.0 110.288 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -16.25 43.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.646 1.216 . . . . 0.0 109.214 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -82.0 -40.81 21.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.935 HD11 HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.44 -45.12 85.08 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.561 ' N ' HD23 ' A' ' 63' ' ' LEU . 6.5 mt-10 -68.52 -36.83 79.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.259 0.974 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' ARG . 21.0 mt-10 -68.99 -40.05 79.02 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.332 1.02 . . . . 0.0 110.064 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 4.3 mt-30 -61.49 -50.12 74.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 26' ' ' VAL . 61.7 mt -40.58 -31.18 0.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.702 1.251 . . . . 0.0 109.228 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.627 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.93 65.28 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.412 1.07 . . . . 0.0 111.055 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.611 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 12.6 mtp-105 -51.15 -44.46 87.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.64 0.847 . . . . 0.0 110.254 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 19.4 Cg_endo -74.76 57.99 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 111.183 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.654 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.29 -167.68 1.98 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.539 1.15 . . . . 0.0 110.832 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' CE2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -134.27 -175.25 3.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.651 1.219 . . . . 0.0 109.272 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.1 -16.18 57.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.33 -31.21 71.07 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.492 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 1.6 mt-10 -66.84 -33.92 76.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.368 1.042 . . . . 0.0 110.314 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.517 ' O ' HD21 ' A' ' 80' ' ' LEU . 31.6 mt -61.57 -57.68 11.12 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.767 ' HA ' HD11 ' A' ' 80' ' ' LEU . 7.7 pt-20 -65.18 -19.59 66.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 79' ' ' ASN . 1.3 mt -81.75 -62.24 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.672 1.232 . . . . 0.0 109.441 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.512 ' O ' HD23 ' A' ' 80' ' ' LEU . 77.5 m-20 -68.74 67.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.232 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.767 HD11 ' HA ' ' A' ' 77' ' ' GLU . 55.1 mt -123.31 162.59 22.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.362 1.039 . . . . 0.0 109.492 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB3' ' C ' ' A' ' 16' ' ' ILE . . . -126.3 -71.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.87 -178.42 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 109.787 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.642 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -167.25 143.14 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 111.051 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.684 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -91.32 -80.55 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.394 1.058 . . . . 0.0 109.216 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.521 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -62.31 -148.37 0.02 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.471 1.107 . . . . 0.0 111.132 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -121.46 157.8 29.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 0.756 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.804 HG22 ' CD1' ' A' ' 96' ' ' PHE . 1.1 pp -125.78 150.75 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.627 1.204 . . . . 0.0 109.196 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -139.18 120.42 14.78 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.556 1.16 . . . . 0.0 110.152 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.8 135.56 44.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.553 1.158 . . . . 0.0 109.548 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 91' ' ' GLU . 10.9 t0 -105.8 179.92 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.667 1.229 . . . . 0.0 109.272 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -33.29 -44.37 0.13 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.372 1.045 . . . . 0.0 110.143 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -158.11 64.91 0.45 Allowed 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 124.404 1.065 . . . . 0.0 109.446 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.744 ' NE2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -173.44 163.83 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.334 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -141.54 124.28 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 155.04 47.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.419 1.074 . . . . 0.0 110.227 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.804 ' CD1' HG22 ' A' ' 87' ' ' ILE . 17.8 m-30 -119.07 138.47 52.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 111.033 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 46.9 p90 -140.54 113.98 8.65 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.631 1.207 . . . . 0.0 110.882 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.569 ' HB3' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -78.35 4.19 13.63 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.688 1.242 . . . . 0.0 110.883 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.57 91.34 7.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.187 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -79.56 -74.89 0.27 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.28 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 t -67.72 121.67 16.45 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 110.336 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.57 0 O-C-N 124.621 1.201 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' THR . 2.4 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' SER . 18.0 p -54.03 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.444 1.09 . . . . 0.0 110.464 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.696 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -117.66 -171.41 2.05 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.62 176.91 6.87 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.624 1.203 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -156.95 -178.11 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' HB2' HD23 ' A' ' 8' ' ' LEU . 9.0 pt20 -155.1 178.06 10.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.335 1.022 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.649 ' C ' HD22 ' A' ' 8' ' ' LEU . . . -142.12 59.27 1.47 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.649 HD22 ' C ' ' A' ' 7' ' ' ALA . 1.3 mm? -110.32 -172.66 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.186 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 65.29 -163.12 0.26 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.511 1.132 . . . . 0.0 109.677 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -48.37 135.63 13.57 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.645 1.216 . . . . 0.0 109.319 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . 1.2 m-20 -154.55 -82.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.644 1.215 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.603 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 4.3 p-10 -168.56 142.24 3.1 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.512 1.133 . . . . 0.0 109.185 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 98' ' ' PHE . 4.5 m -95.05 167.59 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.703 1.252 . . . . 0.0 109.38 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.55 ' HA3' ' HB3' ' A' ' 84' ' ' ALA . . . -162.31 73.8 0.19 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.352 1.033 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.887 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.0 Cg_endo -75.12 130.56 13.27 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.633 1.859 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 15' ' ' PRO . 3.0 mm -124.49 133.51 69.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.0 pt -144.71 171.39 6.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.614 1.196 . . . . 0.0 109.37 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.55 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 4.5 ptt180 -105.96 49.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.768 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . . . -66.2 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.55 82.0 0.32 Allowed Glycine 0 CA--C 1.533 1.159 0 O-C-N 124.565 1.166 . . . . 0.0 110.868 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.14 -70.02 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.654 0.855 . . . . 0.0 109.394 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.45 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 28.4 mt -145.22 18.0 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 O-C-N 124.447 1.092 . . . . 0.0 109.174 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.609 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.2 t -79.16 -9.67 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -73.69 -59.34 1.94 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.252 0.97 . . . . 0.0 110.442 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.0 Cg_endo -75.01 -13.03 21.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 O-C-N 124.629 1.858 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.641 HG13 HD11 ' A' ' 63' ' ' LEU . 3.2 t -87.12 -45.25 16.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 23' ' ' VAL . 6.6 tp -68.06 -35.97 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 O-C-N 124.408 1.068 . . . . 0.0 109.269 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.917 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -66.72 -42.16 86.78 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.535 1.147 . . . . 0.0 110.445 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -77.43 -27.5 52.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 110.401 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.45 -17.32 52.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.601 1.188 . . . . 0.0 109.227 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -89.53 -39.27 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.353 1.033 . . . . 0.0 110.395 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.6 pp -67.79 -29.41 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 124.539 1.149 . . . . 0.0 109.448 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -62.39 -24.62 67.48 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.569 1.168 . . . . 0.0 109.086 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.26 155.05 44.16 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.552 1.157 . . . . 0.0 109.227 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.1 56.23 4.24 Favored 'Trans proline' 0 C--N 1.362 1.271 0 O-C-N 124.239 1.652 . . . . 0.0 111.21 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.82 58.91 1.8 Allowed Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.64 1.213 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 46.12 1.35 Allowed 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.324 0.661 . . . . 0.0 109.359 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -178.62 50.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -130.11 148.87 33.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.415 1.072 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -116.36 113.22 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.596 1.185 . . . . 0.0 110.462 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.61 HG22 HG23 ' A' ' 50' ' ' ILE . 99.0 t -103.0 129.31 54.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 124.28 0.988 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.88 86.04 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.48 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -97.17 124.89 41.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.389 1.056 . . . . 0.0 109.45 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -95.81 -53.41 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 162.97 -62.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.385 1.053 . . . . 0.0 110.262 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.578 ' C ' ' CD1' ' A' ' 47' ' ' TYR . . . -87.97 11.86 14.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.458 1.098 . . . . 0.0 109.216 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' ' 46' ' ' ALA . 61.6 m-85 -155.22 178.91 9.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.787 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.768 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 71.6 t -156.35 118.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.603 1.19 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 36.5 ttt180 -118.26 146.54 44.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 124.255 0.972 . . . . 0.0 110.372 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.61 HG23 HG22 ' A' ' 41' ' ' VAL . 5.7 mt -130.92 157.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 O-C-N 124.614 1.197 . . . . 0.0 109.389 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.55 124.0 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.404 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' HB1' ' CD2' ' A' ' 56' ' ' LEU . . . -138.78 129.03 25.61 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.619 1.199 . . . . 0.0 109.21 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.22 71.66 7.22 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.664 1.227 . . . . 0.0 110.353 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.29 -90.92 0.13 Allowed Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.488 1.118 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.79 ' C ' HD22 ' A' ' 56' ' ' LEU . 6.0 pt-20 -179.64 161.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.339 0.67 . . . . 0.0 110.121 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.79 HD22 ' C ' ' A' ' 55' ' ' GLU . 3.4 mm? -141.16 174.13 10.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.227 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pp -148.58 139.75 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.162 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.418 ' HB2' HG23 ' A' ' 94' ' ' ILE . 1.5 mt -125.27 156.54 38.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.217 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.9 p -142.99 15.6 1.91 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.54 1.15 . . . . 0.0 110.386 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.72 42.05 1.03 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.641 1.213 . . . . 0.0 110.174 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -21.56 25.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.379 1.05 . . . . 0.0 109.166 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -49.79 41.2 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.66 1.225 . . . . 0.0 110.422 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.641 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -59.77 -45.9 90.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.207 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.828 ' HA ' HD12 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -65.26 -41.34 94.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.349 1.031 . . . . 0.0 110.314 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' ARG . 14.0 mt-10 -63.91 -43.01 97.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 110.13 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.505 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 2.2 mt-30 -61.07 -52.45 64.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.348 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.828 HD12 ' HA ' ' A' ' 64' ' ' GLU . 13.2 mt -40.41 -29.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.172 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -158.4 66.7 0.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.651 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 7.2 mtp180 -55.31 -42.52 96.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.399 0.706 . . . . 0.0 110.236 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.02 3.6 5.49 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.302 1.685 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.747 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -98.22 -177.97 3.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.395 1.059 . . . . 0.0 111.162 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.614 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -140.84 166.1 25.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -15.92 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -30.97 70.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.403 1.064 . . . . 0.0 110.204 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' ASN . 0.6 OUTLIER -71.95 -28.65 63.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.17 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.42 -48.03 79.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.529 ' O ' HD21 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -73.72 -25.08 60.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.207 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.668 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -80.49 -65.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.659 1.224 . . . . 0.0 109.326 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.668 ' N ' HG22 ' A' ' 78' ' ' ILE . 2.4 m-20 -70.5 86.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.596 1.185 . . . . 0.0 109.198 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.529 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -148.95 167.7 25.06 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.435 1.084 . . . . 0.0 109.231 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.56 -72.03 0.7 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.607 1.192 . . . . 0.0 109.421 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -147.67 -175.1 4.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.589 1.181 . . . . 0.0 110.025 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 82' ' ' SER . 45.9 m-85 -166.26 125.6 1.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.283 0.989 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.55 ' HB3' ' HA3' ' A' ' 14' ' ' GLY . . . -101.87 37.26 1.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.412 1.07 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.43 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -174.97 -152.77 9.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.528 1.143 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -126.07 165.08 19.5 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.364 0.685 . . . . 0.0 110.271 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 94' ' ' ILE . 16.0 tt -143.55 159.93 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -152.88 176.44 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 110.257 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.31 154.42 34.54 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.632 1.208 . . . . 0.0 109.207 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 10.6 t0 -120.12 -172.2 2.3 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.549 1.156 . . . . 0.0 109.211 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.6 pt-20 -31.65 -53.21 0.25 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.593 1.183 . . . . 0.0 110.363 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.61 60.85 0.81 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.636 1.21 . . . . 0.0 109.414 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.471 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -162.43 168.7 21.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.327 1.017 . . . . 0.0 110.337 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 87' ' ' ILE . 2.3 tt -133.98 120.36 35.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -106.61 160.91 15.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.402 1.064 . . . . 0.0 110.459 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.604 ' CZ ' HD12 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -141.92 144.81 33.96 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.4 1.063 . . . . 0.0 110.958 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.467 ' CB ' ' HB3' ' A' ' 55' ' ' GLU . 11.9 p90 -176.15 158.73 1.99 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.725 1.265 . . . . 0.0 110.776 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.685 ' HB2' HG13 ' A' ' 13' ' ' VAL . 59.7 t80 -106.66 87.87 2.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.84 118.51 14.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.458 1.098 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.38 -82.26 0.09 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.4 t -70.77 130.25 41.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 124.541 1.15 . . . . 0.0 110.482 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.4 mtt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.747 1.28 . . . . 0.0 111.136 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 m -39.26 141.43 0.34 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.373 1.046 . . . . 0.0 110.416 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.98 92.74 0.22 Allowed 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 124.389 1.056 . . . . 0.0 109.402 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.38 117.46 4.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.212 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.88 107.88 19.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.713 1.258 . . . . 0.0 109.206 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.6 129.28 49.12 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -123.15 -128.49 0.26 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.605 1.191 . . . . 0.0 109.308 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD13 ' HZ ' ' A' ' 98' ' ' PHE . 4.5 mt -150.2 -93.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.653 ' HB2' HG22 ' A' ' 101' ' ' THR . 28.6 t60 65.0 88.44 0.1 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.547 1.154 . . . . 0.0 109.598 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.3 t30 62.24 120.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.623 1.202 . . . . 0.0 109.261 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -173.29 -88.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 O-C-N 124.579 1.174 . . . . 0.0 109.189 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -157.28 134.35 10.27 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.437 1.086 . . . . 0.0 109.163 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG12 ' CD1' ' A' ' 98' ' ' PHE . 21.5 m -104.73 177.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 124.575 1.172 . . . . 0.0 109.407 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.586 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -168.92 94.37 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.196 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 18.1 Cg_endo -75.02 127.25 10.52 Favored 'Trans proline' 0 C--N 1.356 0.955 0 O-C-N 124.466 1.771 . . . . 0.0 110.999 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 49' ' ' ARG . 15.9 mm -114.05 128.4 71.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.651 1.219 . . . . 0.0 109.351 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 16' ' ' ILE . 43.9 pt -152.71 175.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 124.67 1.231 . . . . 0.0 109.138 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -82.34 165.76 20.06 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -102.27 144.86 30.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.722 1.264 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.94 -80.43 1.21 Allowed Glycine 0 CA--C 1.532 1.135 0 O-C-N 124.595 1.184 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.69 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 0.775 . . . . 0.0 109.243 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.537 HD23 ' HG2' ' A' ' 25' ' ' PRO . 1.7 mt -108.36 17.21 22.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.111 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.741 HG11 HG21 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -82.38 -12.32 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 124.269 0.981 . . . . 0.0 109.206 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -78.95 -54.87 1.0 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.73 1.269 . . . . 0.0 110.361 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.537 ' HG2' HD23 ' A' ' 22' ' ' LEU . 18.8 Cg_endo -75.07 -13.63 21.22 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.644 1.865 . . . . 0.0 110.977 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.811 ' CG1' HD21 ' A' ' 63' ' ' LEU . 9.0 t -88.1 -47.52 15.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.435 1.084 . . . . 0.0 109.177 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.575 HD11 HD11 ' A' ' 50' ' ' ILE . 7.8 tp -62.74 -34.9 68.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -69.13 -50.43 47.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.579 1.174 . . . . 0.0 110.13 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 m -69.94 -21.85 63.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.96 -18.02 41.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.636 1.21 . . . . 0.0 109.107 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' ASN . 39.2 mm-40 -84.86 -38.42 19.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.405 1.066 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.636 ' C ' HD12 ' A' ' 32' ' ' ILE . 1.2 pp -71.42 -38.96 70.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.58 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -53.35 -27.2 22.41 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -115.41 157.86 42.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 124.559 1.162 . . . . 0.0 109.38 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 55.2 3.94 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.35 55.48 2.07 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.534 1.146 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.53 46.42 1.38 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 0.731 . . . . 0.0 109.295 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.98 50.79 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 124.297 0.998 . . . . 0.0 110.306 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.737 HG12 ' HB2' ' A' ' 52' ' ' ALA . 1.3 mp -132.82 127.86 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.642 1.214 . . . . 0.0 109.185 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -95.27 114.2 25.95 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.384 1.053 . . . . 0.0 110.294 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.98 142.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -132.08 69.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.133 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.77 ' OD1' HG13 ' A' ' 48' ' ' VAL . 72.1 m-20 -92.43 110.23 21.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.623 1.202 . . . . 0.0 109.239 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 3.9 tpt180 -82.88 -57.67 3.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.353 1.033 . . . . 0.0 110.188 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER 161.87 -48.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.38 1.05 . . . . 0.0 110.332 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.69 -26.71 37.36 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 109.39 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -138.92 167.1 22.79 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 111.194 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.77 HG13 ' OD1' ' A' ' 43' ' ' ASP . 52.1 t -130.11 115.75 34.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.573 1.17 . . . . 0.0 109.208 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 16.1 ttp-105 -121.0 152.16 38.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 110.249 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.575 HD11 HD11 ' A' ' 27' ' ' ILE . 6.5 mt -136.35 166.43 26.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.608 1.193 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.412 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -146.85 116.18 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.755 1.284 . . . . 0.0 109.23 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.737 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -131.04 -170.2 2.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.638 1.211 . . . . 0.0 109.139 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -25.95 34.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.451 ' HA2' ' CG2' ' A' ' 13' ' ' VAL . . . 94.78 58.54 1.18 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.622 1.201 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.734 ' H ' HD22 ' A' ' 56' ' ' LEU . 13.0 pt-20 -176.7 53.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.734 HD22 ' H ' ' A' ' 55' ' ' GLU . 2.3 mm? -116.44 -179.04 3.56 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.633 1.208 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.623 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -149.91 150.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.625 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -139.2 153.08 47.84 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 124.322 1.014 . . . . 0.0 109.412 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.7 p -143.64 14.57 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.36 1.038 . . . . 0.0 110.465 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 48.01 1.56 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.72 1.262 . . . . 0.0 110.233 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -21.14 66.16 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.617 1.198 . . . . 0.0 109.22 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 t -73.44 -35.97 65.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.811 HD21 ' CG1' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -75.93 -40.34 54.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.306 1.004 . . . . 0.0 109.325 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.597 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -71.61 -27.12 62.9 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.819 1.325 . . . . 0.0 110.506 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -38.5 55.22 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.611 1.194 . . . . 0.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.465 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -68.25 -48.41 65.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.779 HD11 HG11 ' A' ' 26' ' ' VAL . 56.7 mt -43.46 -27.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.323 1.014 . . . . 0.0 109.196 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.45 65.03 0.32 Allowed Glycine 0 CA--C 1.526 0.746 0 O-C-N 124.703 1.252 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.64 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 11.4 mtp-105 -54.35 -43.23 97.34 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 124.452 0.736 . . . . 0.0 110.199 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.9 Cg_endo -74.94 58.71 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.591 1.837 . . . . 0.0 111.087 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.794 ' HE2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -155.68 -159.34 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.609 1.193 . . . . 0.0 111.063 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.58 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.05 -156.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.2 mtt -89.91 -40.63 12.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.437 1.086 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.32 -33.44 42.53 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.661 1.226 . . . . 0.0 110.377 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.468 ' OE2' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -69.72 -25.43 63.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.794 HD21 ' HE2' ' A' ' 71' ' ' PHE . 74.9 mt -65.83 -52.88 46.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.499 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -70.84 -14.55 62.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 110.357 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.66 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -90.35 -64.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.66 ' N ' HG22 ' A' ' 78' ' ' ILE . 8.7 m-80 -73.01 68.74 0.94 Allowed 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 124.635 1.209 . . . . 0.0 109.436 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -137.46 162.34 33.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.277 0.986 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.95 -56.22 2.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.63 1.206 . . . . 0.0 109.438 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.33 -168.39 0.71 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.333 1.021 . . . . 0.0 110.043 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -170.46 118.12 0.53 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.311 1.007 . . . . 0.0 110.986 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.586 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -88.28 13.33 11.79 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.526 1.141 . . . . 0.0 109.115 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 98' ' ' PHE . . . -148.51 -168.5 14.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -116.44 144.16 44.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 0.739 . . . . 0.0 110.399 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.594 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 30.5 pt -125.97 136.43 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -125.72 119.47 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 110.128 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.3 142.81 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -120.81 -176.15 3.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.281 0.988 . . . . 0.0 109.194 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -29.89 -55.5 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.383 1.052 . . . . 0.0 110.328 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -151.8 63.7 0.86 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.241 0.963 . . . . 0.0 109.408 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.481 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 10.1 pt20 -174.97 173.92 2.59 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.557 1.161 . . . . 0.0 110.232 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.6 tt -152.1 119.09 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.385 1.053 . . . . 0.0 109.473 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.86 145.55 35.12 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.17 . . . . 0.0 110.228 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.522 ' CG ' HG22 ' A' ' 87' ' ' ILE . 4.4 m-85 -108.65 118.74 37.57 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.691 1.244 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 19.8 p90 -130.84 164.37 25.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.596 ' CD1' HG12 ' A' ' 13' ' ' VAL . 1.9 t80 -141.07 110.85 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.109 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.446 ' OD1' ' ND1' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -174.43 94.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -61.8 -76.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.152 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.653 HG22 ' HB2' ' A' ' 9' ' ' HIS . 6.0 t -64.47 112.87 3.32 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.456 1.097 . . . . 0.0 110.47 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.352 1.032 . . . . 0.0 110.949 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.2 t -98.11 157.24 16.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.667 1.23 . . . . 0.0 110.305 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.04 175.88 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.22 170.24 12.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.137 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -75.78 165.24 25.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.574 1.171 . . . . 0.0 109.195 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.47 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -122.73 -40.13 2.47 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.656 1.222 . . . . 0.0 110.225 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 59.21 79.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -122.74 -169.37 1.9 Allowed 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.504 1.128 . . . . 0.0 109.596 179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.462 ' NE2' ' NZ ' ' A' ' 100' ' ' LYS . 12.0 m170 66.59 143.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.556 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' HIS . 11.7 p-10 -40.39 130.39 2.3 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.342 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 17.6 m-20 -151.88 -54.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.759 1.287 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' ALA . 21.6 p-10 179.99 147.79 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.356 1.035 . . . . 0.0 109.197 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.528 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -106.8 129.75 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.308 1.005 . . . . 0.0 109.103 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.9 76.79 0.34 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.525 1.141 . . . . 0.0 111.163 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 83' ' ' PHE . 18.6 Cg_endo -75.01 114.05 3.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.519 HG22 ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -109.38 124.31 65.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 O-C-N 124.602 1.189 . . . . 0.0 109.181 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.0 pt -146.63 168.48 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.706 1.253 . . . . 0.0 109.387 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -82.54 -176.39 6.22 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.551 1.157 . . . . 0.0 110.419 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.91 155.17 32.39 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.672 1.233 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.24 -55.09 0.12 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.346 1.029 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.4 t0 179.84 163.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.399 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 2.2 mm? 66.24 10.64 7.31 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.01 HG11 HG21 ' A' ' 48' ' ' VAL . 2.1 t -80.39 -10.03 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.8 mt-10 -77.25 -57.03 1.14 Allowed Pre-proline 0 N--CA 1.452 -0.332 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.1 Cg_endo -75.13 -13.27 21.2 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.506 1.792 . . . . 0.0 110.82 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.095 HG22 HD11 ' A' ' 63' ' ' LEU . 3.3 t -88.49 -46.35 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 23' ' ' VAL . 2.8 tp -68.74 -26.79 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -82.47 -34.47 28.07 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m -82.48 -22.48 35.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.44 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.45 -34.69 41.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.301 1.001 . . . . 0.0 109.299 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.87 -45.9 73.22 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 124.663 1.227 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.641 HG23 ' O ' ' A' ' 28' ' ' GLU . 22.4 pt -60.77 -39.41 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -53.12 -24.18 9.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.48 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.45 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -122.93 175.48 2.67 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.413 1.07 . . . . 0.0 109.23 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 17.7 Cg_endo -75.34 80.58 2.47 Favored 'Trans proline' 0 C--N 1.362 1.283 0 O-C-N 124.504 1.792 . . . . 0.0 110.908 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.551 ' HA2' HD13 ' A' ' 39' ' ' ILE . . . -88.97 34.81 3.81 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.479 1.112 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.09 23.05 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 0.798 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.594 ' C ' HD12 ' A' ' 39' ' ' ILE . 4.8 pt-20 -178.74 50.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.356 1.035 . . . . 0.0 110.178 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 38' ' ' GLU . 1.6 mp -137.09 150.72 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.387 1.054 . . . . 0.0 109.169 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.5 m -124.99 115.17 20.13 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.625 1.203 . . . . 0.0 110.472 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.539 HG12 ' OD1' ' A' ' 43' ' ' ASP . 58.3 t -98.58 143.72 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.199 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.57 81.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.215 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.539 ' OD1' HG12 ' A' ' 41' ' ' VAL . 3.1 m-20 -93.44 103.69 15.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.304 1.002 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -81.02 -54.44 5.55 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.429 1.081 . . . . 0.0 110.255 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 5.5 mtt180 162.01 -50.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.62 -54.15 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.366 1.042 . . . . 0.0 109.073 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -105.56 162.81 13.17 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.451 1.094 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.01 HG21 HG11 ' A' ' 23' ' ' VAL . 11.6 t -133.61 114.62 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 124.662 1.226 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -118.8 163.73 16.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.224 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 51' ' ' ALA . 8.7 mt -139.21 171.43 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.044 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -152.46 123.93 7.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.9 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -134.72 174.01 11.05 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.624 1.203 . . . . 0.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -57.84 -21.4 42.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.735 1.272 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.93 37.39 0.58 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -176.55 122.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.9 HD11 ' HB2' ' A' ' 52' ' ' ALA . 24.4 mt -148.69 167.38 25.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -150.69 125.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.725 1.266 . . . . 0.0 109.259 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.99 152.26 36.71 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.568 1.167 . . . . 0.0 109.398 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 p -140.94 22.54 2.27 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.567 1.167 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.686 ' HD3' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -85.68 45.05 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.285 0.991 . . . . 0.0 110.35 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -13.44 62.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.14 . . . . 0.0 109.219 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 t -86.6 -33.77 20.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.095 HD11 HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -80.87 -36.01 31.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.624 1.202 . . . . 0.0 109.204 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.501 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.69 -30.24 62.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -73.66 -37.81 65.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.511 1.132 . . . . 0.0 110.486 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.7 mt-30 -66.26 -49.59 66.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 mt -42.28 -28.27 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 0.0 109.165 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.611 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.23 65.38 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 16.2 mtp-105 -53.91 -43.28 96.32 Favored Pre-proline 0 N--CA 1.452 -0.334 0 O-C-N 124.595 0.821 . . . . 0.0 110.442 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.2 Cg_endo -74.9 63.43 5.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.393 1.733 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.83 -162.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 110.822 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -150.07 -163.47 1.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -14.43 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.347 1.029 . . . . 0.0 110.942 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.26 -43.19 99.4 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.74 -21.85 62.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.589 1.181 . . . . 0.0 110.104 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.625 ' O ' HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -65.13 -41.54 94.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.536 1.147 . . . . 0.0 109.22 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 12.0 tt0 -89.0 -14.66 36.01 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.667 1.229 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.17 -18.82 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 O-C-N 124.386 1.054 . . . . 0.0 109.622 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.69 ' O ' HD23 ' A' ' 80' ' ' LEU . 48.1 m-20 -97.26 70.77 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.178 . . . . 0.0 109.138 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 79' ' ' ASN . 1.5 mt -135.06 169.04 18.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.652 1.22 . . . . 0.0 109.424 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.519 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -134.13 -47.51 0.78 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.693 1.246 . . . . 0.0 109.473 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.48 -179.47 1.55 Allowed 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.556 1.16 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 1.7 t80 -172.35 150.56 2.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.344 1.027 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.32 -44.6 5.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.29 -148.82 24.76 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -112.97 166.96 10.92 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.584 0.814 . . . . 0.0 110.078 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.561 HG13 ' CZ ' ' A' ' 83' ' ' PHE . 4.7 mp -123.75 151.32 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.177 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -168.96 127.01 1.01 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.824 ' HB1' ' O ' ' A' ' 93' ' ' GLN . . . -107.42 170.65 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.508 ' CB ' ' OE1' ' A' ' 93' ' ' GLN . 3.6 t70 -119.44 -171.62 2.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.607 1.192 . . . . 0.0 109.448 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.6 pt-20 -32.65 -55.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.773 1.296 . . . . 0.0 110.419 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -148.57 61.79 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.668 1.23 . . . . 0.0 109.247 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.824 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 5.5 pt20 -164.86 173.98 11.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.766 HD11 ' CZ ' ' A' ' 96' ' ' PHE . 0.9 OUTLIER -135.37 120.81 29.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.424 1.078 . . . . 0.0 109.224 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.526 ' HE ' ' NE2' ' A' ' 93' ' ' GLN . 89.9 mtt180 -116.75 147.49 41.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 94' ' ' ILE . 22.9 m-85 -125.32 142.01 51.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.64 1.213 . . . . 0.0 111.018 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CA ' HG11 ' A' ' 13' ' ' VAL . 2.6 p90 -157.97 156.72 31.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.343 1.027 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 11' ' ' ASN . 74.9 t80 -117.0 92.74 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.599 1.187 . . . . 0.0 111.066 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.53 162.11 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' NZ ' ' NE2' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -102.63 -165.99 1.24 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.476 1.11 . . . . 0.0 109.195 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 100' ' ' LYS . 3.3 t -41.8 164.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.314 1.009 . . . . 0.0 110.375 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.7 ttm . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.76 1.288 . . . . 0.0 110.949 -179.857 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 2' ' ' THR . 14.6 t -158.2 52.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.366 1.041 . . . . 0.0 110.467 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.82 111.64 23.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.2 167.04 22.61 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.581 1.175 . . . . 0.0 109.504 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.3 OUTLIER -129.04 146.76 50.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.311 1.007 . . . . 0.0 109.329 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -90.68 -74.54 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.458 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.68 84.36 0.41 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.587 1.18 . . . . 0.0 109.411 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -112.82 -177.26 3.1 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.653 1.221 . . . . 0.0 109.322 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m170 63.67 88.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.51 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.87 146.74 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.373 1.046 . . . . 0.0 109.372 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 6.8 m-20 -179.54 -78.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -177.3 139.36 0.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -104.29 135.19 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.259 0.974 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.658 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -121.53 76.35 0.34 Allowed Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.454 1.096 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.888 ' O ' HD13 ' A' ' 16' ' ' ILE . 19.2 Cg_endo -75.06 140.12 24.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.598 1.841 . . . . 0.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 15' ' ' PRO . 4.6 mm -127.68 138.34 55.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.72 1.262 . . . . 0.0 109.284 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -144.0 177.68 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.625 1.203 . . . . 0.0 109.235 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ALA . 4.2 ptm180 -108.28 57.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.541 ' HB3' HG23 ' A' ' 48' ' ' VAL . . . -38.74 156.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.41 1.069 . . . . 0.0 109.301 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.35 -73.56 0.66 Allowed Glycine 0 CA--C 1.532 1.142 0 O-C-N 124.406 1.066 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -171.93 33.17 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.403 0.707 . . . . 0.0 109.473 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 26.9 mt -149.58 19.17 0.92 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.129 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.593 HG11 HG21 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -84.91 -15.47 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.8 mt-10 -71.95 -55.97 4.92 Favored Pre-proline 0 C--N 1.328 -0.367 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -75.13 -17.81 18.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.653 1.87 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.785 HG13 HD21 ' A' ' 63' ' ' LEU . 4.7 t -81.66 -41.36 18.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 24' ' ' GLU . 2.3 tp -69.29 -38.91 78.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 O-C-N 124.587 1.179 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -61.39 -40.83 95.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.728 1.268 . . . . 0.0 110.491 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 m -80.03 -28.47 39.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.649 1.218 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.82 -14.1 58.92 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.598 1.187 . . . . 0.0 109.333 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.93 -40.94 14.36 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.426 1.079 . . . . 0.0 110.156 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' GLU . 7.8 pt -64.7 -36.82 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.23 -32.28 73.81 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.673 1.233 . . . . 0.0 109.24 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 57' ' ' ILE . 1.5 t-20 -94.51 133.79 26.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.347 1.03 . . . . 0.0 109.195 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 0.3 9.03 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.581 1.832 . . . . 0.0 110.785 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.05 53.33 4.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 67.26 0.22 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.458 0.74 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -179.76 52.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 40' ' ' THR . 12.2 mt -117.05 158.11 17.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.578 1.174 . . . . 0.0 109.466 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.408 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 3.7 m -113.84 112.87 24.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.474 HG22 HG23 ' A' ' 50' ' ' ILE . 60.1 t -99.48 144.49 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 124.468 1.105 . . . . 0.0 109.428 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -131.15 115.53 16.51 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -108.3 121.92 45.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 19.9 tpt85 -88.06 -42.5 12.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.604 1.19 . . . . 0.0 110.195 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 3.8 mtt180 159.66 -72.46 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.715 1.26 . . . . 0.0 110.29 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.39 -50.79 11.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 3.7 m-30 -103.24 165.13 11.21 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.593 HG21 HG11 ' A' ' 23' ' ' VAL . 44.2 t -135.41 149.38 28.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.614 1.196 . . . . 0.0 109.179 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -139.31 157.92 45.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 51' ' ' ALA . 18.9 mt -129.49 169.28 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.71 1.257 . . . . 0.0 109.308 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.526 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -149.57 95.01 2.28 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.288 0.993 . . . . 0.0 109.446 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.125 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -101.9 177.79 4.8 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.527 1.142 . . . . 0.0 109.114 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -65.05 -26.9 68.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.579 1.174 . . . . 0.0 110.4 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.32 -56.72 0.52 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -92.3 134.89 34.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 0.827 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.125 HD11 ' CB ' ' A' ' 52' ' ' ALA . 70.7 mt -148.75 159.83 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.363 1.04 . . . . 0.0 109.295 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' O ' HD12 ' A' ' 57' ' ' ILE . 2.7 pp -140.45 129.5 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.642 1.213 . . . . 0.0 109.429 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -129.93 140.55 50.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 109.444 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.5 p -129.91 7.58 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 110.32 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.91 44.98 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 110.238 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -20.13 55.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.373 1.046 . . . . 0.0 109.277 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 63' ' ' LEU . 13.5 t -71.65 -48.89 44.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.301 1.001 . . . . 0.0 110.219 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.785 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.42 -44.28 97.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.627 1.204 . . . . 0.0 109.219 -179.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' N ' HD23 ' A' ' 63' ' ' LEU . 1.7 mm-40 -68.6 -33.35 73.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.404 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' ARG . 18.6 mt-10 -71.17 -40.73 71.09 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.55 1.156 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -63.69 -50.4 69.35 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.385 1.053 . . . . 0.0 110.474 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 26' ' ' VAL . 80.5 mt -42.98 -27.9 0.22 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.486 1.116 . . . . 0.0 109.396 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.631 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -157.45 65.42 0.3 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.754 1.284 . . . . 0.0 110.958 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 40.5 mtm180 -54.0 -43.92 97.51 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.454 0.737 . . . . 0.0 110.35 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.8 Cg_endo -74.78 62.09 5.6 Favored 'Trans proline' 0 C--N 1.357 1.007 0 O-C-N 124.429 1.752 . . . . 0.0 111.155 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CZ ' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.03 -174.63 4.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.409 1.068 . . . . 0.0 111.079 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -170.6 -169.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.227 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -41.94 -70.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.631 1.207 . . . . 0.0 110.95 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 73' ' ' MET . 0.8 OUTLIER -36.32 -52.49 0.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.743 1.277 . . . . 0.0 110.243 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -41.15 95.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.728 HD11 ' CZ ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -52.98 -52.56 57.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.526 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -14.52 62.99 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.606 1.191 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.556 HG22 ' N ' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -88.47 -58.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.523 1.139 . . . . 0.0 109.435 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.556 ' N ' HG22 ' A' ' 78' ' ' ILE . 2.5 m-80 -70.16 77.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.258 0.974 . . . . 0.0 109.23 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -164.53 166.64 20.19 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.562 1.163 . . . . 0.0 109.222 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.47 -73.12 0.67 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.093 . . . . 0.0 109.393 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.13 -168.84 3.19 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.685 1.241 . . . . 0.0 110.018 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.698 ' CE1' HG22 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -178.49 106.83 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.57 1.169 . . . . 0.0 111.225 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.658 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -53.44 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.514 1.134 . . . . 0.0 109.204 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.404 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -67.95 -167.06 3.77 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.422 1.076 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . 4.5 mt-30 -93.7 174.99 6.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.662 0.86 . . . . 0.0 110.253 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.698 HG22 ' CE1' ' A' ' 83' ' ' PHE . 18.1 pt -135.93 147.39 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.195 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -141.75 159.95 41.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.482 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.95 140.5 22.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.601 1.188 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -108.98 -168.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.0 pt-20 -30.23 -59.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.644 1.215 . . . . 0.0 110.253 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -148.23 61.04 1.11 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.72 1.263 . . . . 0.0 109.221 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.482 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.8 pt20 -161.16 162.94 31.52 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.423 1.077 . . . . 0.0 110.238 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -137.36 119.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 109.478 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.59 140.63 52.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 94' ' ' ILE . 17.4 m-85 -107.36 157.75 17.71 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.6 ' O ' ' CD1' ' A' ' 97' ' ' TYR . 40.7 p90 -165.98 124.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.347 1.029 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 11' ' ' ASN . 1.1 t80 -78.69 -10.75 59.87 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.573 1.171 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.66 141.01 49.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.724 1.265 . . . . 0.0 109.344 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.463 ' HE3' ' CE1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -87.72 -88.44 0.14 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.352 1.033 . . . . 0.0 109.444 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 t -49.63 -26.99 4.09 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.405 1.065 . . . . 0.0 110.516 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 C--N 1.327 -0.394 0 O-C-N 124.455 1.097 . . . . 0.0 110.95 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 m -159.44 139.69 12.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.068 . . . . 0.0 110.455 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 159.08 2.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.115 . . . . 0.0 109.429 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.94 166.89 10.49 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.56 1.163 . . . . 0.0 109.149 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.7 t0 179.3 151.88 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.321 1.013 . . . . 0.0 109.318 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -148.67 122.64 9.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.66 1.225 . . . . 0.0 110.253 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -170.57 44.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.351 1.032 . . . . 0.0 109.321 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 9' ' ' HIS . 0.1 OUTLIER -111.74 166.98 10.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.069 . . . . 0.0 109.178 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.462 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 8.3 t-80 84.01 70.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.485 1.115 . . . . 0.0 109.697 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' HIS . 28.9 m-20 61.93 133.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -171.06 -88.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.741 1.276 . . . . 0.0 109.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -156.59 128.1 7.11 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.404 1.065 . . . . 0.0 109.418 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.987 HG23 ' HB3' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -101.65 141.63 17.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.608 1.192 . . . . 0.0 109.412 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.88 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -133.08 86.98 0.27 Allowed Glycine 0 CA--C 1.527 0.842 0 O-C-N 124.476 1.11 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.682 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.2 Cg_endo -74.94 127.33 10.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.306 1.688 . . . . 0.0 110.932 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 15' ' ' PRO . 6.3 mm -118.4 117.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.595 1.184 . . . . 0.0 109.288 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.9 pt -137.82 168.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 124.637 1.211 . . . . 0.0 109.32 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -54.29 179.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.577 1.173 . . . . 0.0 110.563 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -117.93 172.01 7.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 109.389 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.17 -100.7 0.2 Allowed Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.582 1.176 . . . . 0.0 110.78 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.85 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.594 HD23 ' HG2' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -89.77 15.41 9.76 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.504 ' O ' HG22 ' A' ' 27' ' ' ILE . 2.1 t -80.37 -9.99 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.391 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.518 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.5 mt-10 -75.42 -57.65 1.61 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.594 ' HG2' HD23 ' A' ' 22' ' ' LEU . 18.8 Cg_endo -75.11 -15.14 20.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.985 HG13 HD21 ' A' ' 63' ' ' LEU . 3.5 t -84.86 -47.74 16.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 124.581 1.176 . . . . 0.0 109.512 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' VAL . 9.8 tp -64.3 -41.62 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.668 1.23 . . . . 0.0 109.337 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.619 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -60.29 -44.87 95.0 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.321 1.013 . . . . 0.0 110.327 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -69.99 -34.57 73.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.28 73.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -70.56 -48.94 52.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.593 1.183 . . . . 0.0 110.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.2 pt -68.01 -10.65 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.332 1.02 . . . . 0.0 109.086 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -87.25 -10.1 53.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.561 1.163 . . . . 0.0 109.23 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -126.77 155.99 74.36 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.552 1.157 . . . . 0.0 109.167 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -1.99 11.95 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.43 52.99 4.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.103 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 63.05 0.21 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.508 0.77 . . . . 0.0 109.347 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -178.91 56.05 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 52' ' ' ALA . 20.7 mm -113.53 153.16 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.6 m -114.64 112.69 23.28 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.662 1.226 . . . . 0.0 110.401 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 50' ' ' ILE . 41.0 t -99.66 149.89 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.64 1.212 . . . . 0.0 109.126 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -137.71 92.24 2.66 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.621 1.2 . . . . 0.0 110.264 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -90.56 109.15 20.31 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.455 1.097 . . . . 0.0 109.416 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -71.98 0.47 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.332 1.02 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 168.51 -45.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.199 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.28 -33.84 25.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.445 1.091 . . . . 0.0 109.397 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -144.16 168.9 18.94 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.714 1.259 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 19' ' ' ALA . 71.5 t -122.17 128.65 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.12 145.7 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 51' ' ' ALA . 7.7 mt -125.47 170.42 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.189 . . . . 0.0 109.098 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.525 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -138.48 99.41 3.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.987 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -100.37 169.31 9.19 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.609 1.193 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -46.7 46.68 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.339 1.024 . . . . 0.0 110.188 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.49 -74.51 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.248 0.967 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.445 ' O ' HD23 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -93.82 115.61 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 0.749 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.803 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 20.5 mt -147.87 -176.66 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.513 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -148.2 159.29 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.435 1.085 . . . . 0.0 109.429 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 57' ' ' ILE . 19.2 mt -144.21 131.36 20.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.61 1.194 . . . . 0.0 109.335 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.5 p -124.6 25.43 7.54 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.369 1.043 . . . . 0.0 110.395 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.552 ' HD3' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -88.52 29.7 0.97 Allowed 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.189 -179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -29.04 66.29 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.9 t -70.75 -44.58 66.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.825 1.328 . . . . 0.0 110.482 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.985 HD21 HG13 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -66.54 -38.58 87.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.297 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -21.75 51.36 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.9 -38.45 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.683 1.239 . . . . 0.0 110.409 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.409 ' C ' ' N ' ' A' ' 68' ' ' GLY . 0.3 OUTLIER -71.15 -47.05 60.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.206 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.533 HD11 HG21 ' A' ' 26' ' ' VAL . 31.4 mt -43.66 -27.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.325 1.015 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.69 64.93 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.298 0.998 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.62 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 11.1 mtt180 -50.54 -44.27 82.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.499 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.7 Cg_endo -74.94 63.03 5.91 Favored 'Trans proline' 0 C--N 1.358 1.061 0 O-C-N 124.552 1.817 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.84 ' HE2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.5 -155.02 0.41 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.386 1.054 . . . . 0.0 110.976 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.89 -177.29 6.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 109.519 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.411 ' O ' ' OE1' ' A' ' 77' ' ' GLU . 2.7 mtt -90.27 -41.12 11.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.351 1.032 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 5.3 tt0 -53.72 -23.09 10.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.614 1.196 . . . . 0.0 110.247 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 2.1 pt-20 -86.03 -10.05 55.7 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.61 1.194 . . . . 0.0 110.177 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.84 HD21 ' HE2' ' A' ' 71' ' ' PHE . 89.8 mt -78.39 -53.46 7.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.437 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.668 ' O ' HD23 ' A' ' 80' ' ' LEU . 1.1 pm0 -50.45 -65.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.318 1.011 . . . . 0.0 110.304 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.418 ' H ' HG23 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -50.26 -22.58 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 1.2 m-80 -87.96 67.74 9.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 77' ' ' GLU . 4.0 pp -141.07 150.25 42.69 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.381 1.051 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.09 -44.98 5.3 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.382 1.051 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.07 178.27 2.98 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.334 1.021 . . . . 0.0 109.827 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -158.94 176.96 11.66 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.88 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -141.72 19.31 2.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.1 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.64 -165.03 25.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.627 1.205 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -102.79 152.19 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.553 0.796 . . . . 0.0 110.133 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 87' ' ' ILE . 1.2 pp -143.21 130.62 18.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.129 . . . . 0.0 109.499 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -129.67 163.19 26.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.376 1.048 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.31 147.49 46.95 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -112.45 -175.47 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -29.28 -52.99 0.12 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 124.38 1.05 . . . . 0.0 110.364 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -155.9 66.25 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -176.4 169.8 2.62 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.529 HD11 ' HE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -132.11 129.17 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.683 1.239 . . . . 0.0 109.371 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.79 167.15 11.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.629 1.206 . . . . 0.0 110.456 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CE2' ' CG2' ' A' ' 87' ' ' ILE . 4.2 m-85 -137.68 142.35 41.1 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.552 1.157 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 2.9 p90 -160.5 104.85 1.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.311 1.007 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.732 ' HB2' HG13 ' A' ' 13' ' ' VAL . 6.2 t80 -45.94 -32.34 2.66 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.576 1.172 . . . . 0.0 111.171 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.57 140.21 6.25 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.522 1.139 . . . . 0.0 109.442 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.22 -72.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.623 1.202 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 101' ' ' THR . 9.8 t -83.19 102.89 12.19 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.322 1.014 . . . . 0.0 110.203 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.7 ptm . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 111.068 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.2 t -164.91 138.48 4.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 124.419 1.075 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.66 160.88 30.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.647 1.217 . . . . 0.0 109.443 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.47 145.08 52.98 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.236 0.96 . . . . 0.0 109.218 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.51 110.19 22.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 5.1 pt20 -94.29 158.68 15.47 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 124.502 1.126 . . . . 0.0 110.199 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . 167.94 101.26 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.442 1.089 . . . . 0.0 109.217 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 1.4 mm? -63.07 148.72 47.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.349 1.03 . . . . 0.0 109.238 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 175.83 112.23 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.541 1.151 . . . . 0.0 109.568 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.599 ' HA ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 m120 55.87 76.38 0.28 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.664 1.227 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -134.75 -75.75 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.341 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -149.46 144.52 26.38 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.058 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 2.6 m -90.52 132.13 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 O-C-N 124.256 0.973 . . . . 0.0 109.209 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.816 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -132.72 80.17 0.33 Allowed Glycine 0 CA--C 1.528 0.851 0 O-C-N 124.593 1.183 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.729 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.2 Cg_endo -75.14 132.85 15.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.38 1.726 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 15' ' ' PRO . 13.1 mm -122.63 85.68 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.427 1.08 . . . . 0.0 109.351 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.8 pt -105.64 173.75 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 O-C-N 124.389 1.056 . . . . 0.0 109.259 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.95 172.04 12.35 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.67 149.78 23.79 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.707 1.254 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.96 -95.99 0.52 Allowed Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -179.05 149.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.577 0.81 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 5.7 mp 67.09 18.01 10.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 109.1 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.484 HG11 HG21 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -78.17 -13.74 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.6 mt-10 -73.75 -58.65 2.12 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 110.117 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.5 Cg_endo -75.0 -10.83 21.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.416 1.745 . . . . 0.0 111.004 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.815 HG13 HD21 ' A' ' 63' ' ' LEU . 9.4 t -89.15 -43.36 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 O-C-N 124.314 1.009 . . . . 0.0 109.423 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.746 HD11 HD13 ' A' ' 50' ' ' ILE . 5.2 tp -66.82 -32.92 60.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.578 1.174 . . . . 0.0 109.36 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.92 -46.4 62.56 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.396 1.06 . . . . 0.0 110.359 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m -69.94 -29.99 67.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.355 1.034 . . . . 0.0 110.406 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.63 -19.58 59.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.204 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' ASN . 74.1 mt-10 -82.82 -45.24 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.07 . . . . 0.0 110.351 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 28' ' ' GLU . 5.9 pt -62.22 -28.02 43.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 O-C-N 124.635 1.209 . . . . 0.0 109.352 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -54.68 -37.91 66.33 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.402 1.064 . . . . 0.0 109.326 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -114.8 158.77 39.65 Favored Pre-proline 0 C--N 1.329 -0.326 0 O-C-N 124.63 1.206 . . . . 0.0 109.162 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 44.21 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.541 1.811 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 34' ' ' ASN . . . -95.77 59.08 1.52 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.358 1.036 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 54.41 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.562 0.801 . . . . 0.0 109.199 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.22 49.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.68 1.237 . . . . 0.0 110.194 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.7 mt -116.49 130.91 70.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 124.746 1.279 . . . . 0.0 109.24 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.6 m -103.14 126.62 50.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.627 1.204 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.899 HG22 HG23 ' A' ' 50' ' ' ILE . 39.5 t -116.37 145.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.253 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.0 96.38 3.63 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.04 107.7 19.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -82.96 -73.13 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.427 1.079 . . . . 0.0 110.169 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.01 -47.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 110.228 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.46 -27.67 29.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -149.3 163.34 37.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.484 HG21 HG11 ' A' ' 23' ' ' VAL . 10.2 t -122.07 125.09 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -120.62 149.0 43.15 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.604 1.19 . . . . 0.0 110.208 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.899 HG23 HG22 ' A' ' 41' ' ' VAL . 7.7 mt -130.32 169.41 21.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.554 1.159 . . . . 0.0 109.372 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.5 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -144.71 93.18 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.058 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . . . -100.24 177.23 5.12 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.271 0.982 . . . . 0.0 109.374 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.74 -37.65 73.47 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.53 1.144 . . . . 0.0 110.488 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.733 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . 136.54 -56.08 0.7 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.77 97.08 10.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.578 0.81 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.995 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 9.1 mt -144.96 175.4 10.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.721 1.263 . . . . 0.0 109.423 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.438 HG23 ' C ' ' A' ' 56' ' ' LEU . 1.7 pp -152.84 143.16 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 94' ' ' ILE . 3.3 mt -127.44 144.56 51.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.9 p -137.8 11.75 2.91 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 110.546 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.64 46.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.208 . . . . 0.0 110.312 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -20.1 65.08 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.331 1.019 . . . . 0.0 109.381 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -43.78 59.84 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.718 1.261 . . . . 0.0 110.292 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.815 HD21 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.74 -38.09 88.15 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.2 mt-10 -75.06 -36.46 61.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.669 1.231 . . . . 0.0 110.368 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -69.06 -39.69 78.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.102 . . . . 0.0 110.43 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.486 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.6 mm-40 -63.59 -50.85 67.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.73 HD21 HG21 ' A' ' 26' ' ' VAL . 14.7 mt -44.49 -26.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.78 65.02 0.32 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.23 0.957 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 5.3 mtt180 -55.38 -42.86 98.17 Favored Pre-proline 0 N--CA 1.451 -0.393 0 O-C-N 124.467 0.746 . . . . 0.0 110.315 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.1 Cg_endo -75.06 62.86 5.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.562 1.822 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -160.25 -157.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 111.063 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.579 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.79 161.1 31.95 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.669 1.231 . . . . 0.0 109.238 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -61.55 -27.95 68.98 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.745 1.278 . . . . 0.0 110.997 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 78' ' ' ILE . 4.3 tt0 -56.26 -31.71 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.418 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.15 -20.1 60.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.69 -52.96 17.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.437 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' HD21 ' A' ' 80' ' ' LEU . 14.3 tt0 -48.85 -29.0 4.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.244 0.965 . . . . 0.0 110.196 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.669 ' O ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -90.33 -37.17 9.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 124.479 1.112 . . . . 0.0 109.385 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -73.92 70.3 1.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.572 1.17 . . . . 0.0 109.407 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 80' ' ' LEU . 2.4 pp -161.23 105.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 109.146 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 16' ' ' ILE . . . -67.95 -50.93 53.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.419 1.074 . . . . 0.0 109.413 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -162.34 -164.58 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.368 1.043 . . . . 0.0 109.96 -179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' A' ' 82' ' ' SER . 29.4 m-85 -166.76 -173.03 2.28 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.281 0.988 . . . . 0.0 110.82 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.816 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -129.87 -45.48 1.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.203 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.72 -147.26 9.33 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.634 1.208 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -105.58 166.17 10.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.353 0.678 . . . . 0.0 110.396 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.841 HD13 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -152.06 135.88 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.633 1.208 . . . . 0.0 109.245 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.841 ' N ' HD13 ' A' ' 87' ' ' ILE . 15.6 mm-40 -135.01 162.92 31.09 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.3 153.69 51.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.205 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' HG2' ' A' ' 93' ' ' GLN . 4.3 t70 -118.23 -175.58 2.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.3 pp20? -33.63 -48.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.196 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -154.82 60.4 0.67 Allowed 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.48 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 1.7 pt20 -164.09 165.77 21.99 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 124.609 1.193 . . . . 0.0 110.245 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.659 HG13 HD11 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -139.82 114.63 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 O-C-N 124.605 1.191 . . . . 0.0 109.198 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.497 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -105.82 155.73 19.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.414 1.071 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -123.98 147.94 47.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 110.957 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.497 ' CE2' ' HB2' ' A' ' 95' ' ' ARG . 34.2 m-85 -146.96 131.79 18.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.368 1.042 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD2' ' HA3' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -79.99 17.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.598 1.186 . . . . 0.0 110.98 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.2 89.19 4.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.249 0.968 . . . . 0.0 109.162 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -159.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.391 1.057 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 t -40.11 152.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.2 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 m -129.44 138.36 51.4 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.444 1.09 . . . . 0.0 110.614 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.92 163.23 12.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.731 1.27 . . . . 0.0 109.273 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.21 123.44 32.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.02 125.22 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.74 1.275 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -59.99 94.84 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.444 1.09 . . . . 0.0 110.129 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.16 85.69 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.378 1.049 . . . . 0.0 109.205 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -88.48 51.06 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.657 1.223 . . . . 0.0 109.386 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.574 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 1.9 t-160 88.42 -145.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.754 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.581 ' HA ' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER 88.77 108.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 179.74 -69.95 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -167.34 150.19 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.647 1.217 . . . . 0.0 109.286 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.053 HG23 ' HB3' ' A' ' 52' ' ' ALA . 3.7 m -129.81 -174.19 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.202 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -167.93 98.98 0.15 Allowed Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.414 1.071 . . . . 0.0 111.06 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.473 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 17.8 Cg_endo -75.04 110.95 3.21 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.411 1.743 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 17' ' ' ILE . 4.0 mm -99.45 141.76 16.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.657 1.223 . . . . 0.0 109.339 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 16' ' ' ILE . 23.0 pt -158.16 -179.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.402 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HD3' ' CB ' ' A' ' 79' ' ' ASN . 10.7 ptm180 -86.68 163.19 17.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.576 1.172 . . . . 0.0 110.402 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.72 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -81.36 158.96 24.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.201 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.22 -91.67 0.21 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.519 1.137 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -179.42 134.89 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.409 0.711 . . . . 0.0 109.213 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER 65.25 19.57 11.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 27' ' ' ILE . 1.6 t -79.1 -10.53 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.176 . . . . 0.0 109.266 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 2.1 mt-10 -77.98 -58.09 0.9 Allowed Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.574 1.171 . . . . 0.0 110.242 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.9 Cg_endo -74.92 -11.31 21.63 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.433 1.754 . . . . 0.0 111.042 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.902 HG13 HD11 ' A' ' 63' ' ' LEU . 21.3 t -90.21 -45.89 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.535 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 23' ' ' VAL . 5.3 tp -66.55 -32.3 57.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.66 1.225 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -73.52 -42.34 61.88 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.549 1.156 . . . . 0.0 110.228 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.6 m -74.39 -26.23 59.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.708 1.255 . . . . 0.0 110.298 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.27 -21.91 49.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.157 . . . . 0.0 109.49 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' OE2' ' CG2' ' A' ' 41' ' ' VAL . 29.4 mt-10 -79.11 -43.26 24.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 28' ' ' GLU . 8.8 pt -62.74 -35.95 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.341 1.026 . . . . 0.0 109.445 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.46 -39.98 64.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 124.282 0.989 . . . . 0.0 109.311 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -101.81 156.9 34.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.42 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 52.32 2.98 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.45 1.763 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.4 60.12 1.57 Allowed Glycine 0 CA--C 1.532 1.135 0 O-C-N 124.514 1.134 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 49.41 1.63 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.492 0.76 . . . . 0.0 109.18 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 179.32 47.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.685 1.241 . . . . 0.0 110.216 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.29 153.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.561 1.163 . . . . 0.0 109.411 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.4 m -128.68 123.99 34.55 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.557 1.161 . . . . 0.0 110.425 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.416 ' CG2' ' OE2' ' A' ' 31' ' ' GLU . 47.4 t -99.27 152.25 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -143.64 78.26 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.19 108.17 17.59 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.775 1.297 . . . . 0.0 109.243 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -80.49 -67.48 0.77 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 164.74 -48.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.183 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.1 -30.86 39.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.49 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -142.44 168.45 19.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.72 HG23 ' HA ' ' A' ' 19' ' ' ALA . 72.1 t -117.33 125.46 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 O-C-N 124.368 1.042 . . . . 0.0 109.205 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -113.0 137.46 51.36 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.312 1.007 . . . . 0.0 110.358 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 mt -130.31 146.37 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.36 1.038 . . . . 0.0 109.279 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.0 106.81 10.23 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.75 1.281 . . . . 0.0 109.251 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.053 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -92.46 154.03 18.75 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.603 1.189 . . . . 0.0 109.153 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -14.82 62.68 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.55 ' HA2' HG22 ' A' ' 13' ' ' VAL . . . 145.67 -74.05 0.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.069 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.776 ' C ' HD22 ' A' ' 56' ' ' LEU . 6.6 pt-20 -103.87 119.54 39.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.676 0.868 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.973 HD23 ' HB1' ' A' ' 52' ' ' ALA . 3.7 mm? -136.04 166.38 23.49 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.444 1.09 . . . . 0.0 109.147 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.426 ' CG2' ' C ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -150.37 138.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.529 ' HB2' HG23 ' A' ' 94' ' ' ILE . 1.1 mt -133.74 146.49 50.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.628 1.205 . . . . 0.0 109.386 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.4 p -143.11 14.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.256 0.972 . . . . 0.0 110.618 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.91 47.44 1.4 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.63 1.206 . . . . 0.0 110.262 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -20.59 63.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.304 1.002 . . . . 0.0 109.253 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -47.41 67.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.441 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.902 HD11 HG13 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.33 -36.84 82.26 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.711 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.11 -14.75 59.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.706 1.254 . . . . 0.0 110.408 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.79 -31.18 17.51 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.62 1.2 . . . . 0.0 110.424 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.43 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 mt-30 -80.11 -43.5 21.6 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.649 1.218 . . . . 0.0 110.325 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.626 HD11 HG11 ' A' ' 26' ' ' VAL . 16.3 mt -40.0 -30.91 0.1 Allowed 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.378 1.049 . . . . 0.0 109.491 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.604 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.95 65.74 0.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 110.924 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 2.1 mtp-105 -50.78 -44.18 84.46 Favored Pre-proline 0 C--N 1.322 -0.591 0 O-C-N 124.461 0.742 . . . . 0.0 110.263 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.8 Cg_endo -74.92 64.0 5.95 Favored 'Trans proline' 0 C--N 1.362 1.267 0 O-C-N 124.335 1.702 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -160.72 -154.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.574 1.171 . . . . 0.0 110.96 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.596 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.53 -169.14 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 109.152 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.4 ptm -90.3 -18.88 24.8 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.51 1.131 . . . . 0.0 110.917 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -63.34 -32.12 73.45 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.566 ' OE2' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -71.0 -25.35 62.65 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.682 1.239 . . . . 0.0 110.227 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 80' ' ' LEU . 6.0 mp -66.76 -55.34 15.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.658 1.224 . . . . 0.0 109.194 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.611 ' O ' HD22 ' A' ' 80' ' ' LEU . 16.0 tt0 -66.31 -15.38 63.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.37 1.044 . . . . 0.0 110.251 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -90.2 -49.82 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.167 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.41 ' CB ' ' HD3' ' A' ' 18' ' ' ARG . 59.0 m-20 -69.77 64.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.231 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -117.76 160.7 20.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' HB3' ' CA ' ' A' ' 17' ' ' ILE . . . -131.86 -67.7 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.368 1.042 . . . . 0.0 109.144 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.594 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -156.73 -176.91 6.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.888 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.61 ' CE1' ' CG2' ' A' ' 87' ' ' ILE . 3.6 m-85 -165.49 172.41 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -105.98 -37.86 6.51 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.415 1.072 . . . . 0.0 109.453 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.35 -108.69 1.14 Allowed Glycine 0 CA--C 1.533 1.178 0 O-C-N 124.552 1.158 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.86 175.7 10.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 0.8 . . . . 0.0 110.28 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.61 ' CG2' ' CE1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -132.77 170.3 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.279 0.987 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -155.47 112.75 3.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.656 1.223 . . . . 0.0 110.393 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' GLN . . . -99.85 132.21 45.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 109.101 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.8 t0 -92.77 -170.5 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -36.58 -42.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.302 1.002 . . . . 0.0 110.139 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -159.28 53.18 0.39 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.708 1.255 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 2.8 mt-30 -149.6 172.55 14.85 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.625 1.203 . . . . 0.0 110.363 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' ' 58' ' ' LEU . 4.1 tt -146.07 107.91 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.374 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.32 167.45 10.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.445 ' CD1' HG22 ' A' ' 87' ' ' ILE . 20.5 m-85 -133.71 161.0 35.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.675 1.234 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.78 ' HB2' HG23 ' A' ' 101' ' ' THR . 36.6 p90 -173.54 116.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.364 1.04 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.701 ' HB3' HG13 ' A' ' 13' ' ' VAL . 3.0 p90 -40.25 -48.47 2.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.56 ' O ' ' C ' ' A' ' 100' ' ' LYS . 7.1 m-20 179.01 -85.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.46 1.1 . . . . 0.0 109.206 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -26.84 -84.98 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.727 1.267 . . . . 0.0 109.325 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.78 HG23 ' HB2' ' A' ' 97' ' ' TYR . 8.9 t -39.07 115.05 0.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.618 1.198 . . . . 0.0 110.608 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.6 mtm . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.375 1.047 . . . . 0.0 110.986 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 2' ' ' THR . 6.6 t -146.99 61.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.404 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.15 151.92 4.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.668 1.23 . . . . 0.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.11 86.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.302 1.001 . . . . 0.0 109.165 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -51.52 121.3 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -131.0 -170.45 2.36 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 56.0 56.64 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.389 1.055 . . . . 0.0 109.192 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' CB ' ' HG2' ' A' ' 100' ' ' LYS . 0.8 OUTLIER -126.6 145.54 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.385 1.053 . . . . 0.0 109.368 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.484 ' CG ' ' N ' ' A' ' 10' ' ' ASN . 1.0 OUTLIER 170.24 -78.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.617 1.198 . . . . 0.0 109.6 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.484 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 51.9 t-20 -142.59 114.92 8.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.557 1.16 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -141.21 -89.72 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.469 1.106 . . . . 0.0 109.209 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 8.3 p-10 -161.4 152.33 18.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 53' ' ' GLU . 1.4 m -103.0 161.6 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 124.443 1.09 . . . . 0.0 109.188 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.531 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -147.87 84.96 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.189 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.629 ' O ' HD12 ' A' ' 16' ' ' ILE . 18.3 Cg_endo -75.0 120.56 6.12 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.58 1.832 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 15' ' ' PRO . 1.1 mp -114.47 116.86 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.696 HG22 ' HA ' ' A' ' 80' ' ' LEU . 4.7 pt -139.87 177.81 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.175 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.9 165.52 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -90.14 128.69 36.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.63 1.206 . . . . 0.0 109.354 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.44 -78.34 1.33 Allowed Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.298 0.999 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -177.37 124.69 0.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.625 0.838 . . . . 0.0 109.492 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER 66.55 16.92 10.54 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.69 HG11 HG21 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -79.47 -13.85 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 124.352 1.032 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.526 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -72.97 -58.54 2.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.664 1.227 . . . . 0.0 110.134 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.526 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.7 Cg_endo -74.9 -12.34 21.73 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.087 HG13 HD11 ' A' ' 63' ' ' LEU . 6.3 t -87.03 -42.72 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.467 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.785 ' CG1' HD11 ' A' ' 50' ' ' ILE . 7.0 tp -67.98 -39.89 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.895 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -65.21 -42.17 93.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 110.216 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -74.66 -29.78 61.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.06 -16.12 58.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 124.642 1.214 . . . . 0.0 109.449 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.49 -39.28 12.69 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.895 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.4 pp -68.98 -25.26 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 109.193 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.93 -31.47 59.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 35.4 t30 -106.72 109.73 63.29 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.703 1.252 . . . . 0.0 109.103 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 17.9 Cg_endo -75.0 -161.53 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.66 -1.11 39.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.606 1.191 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -104.29 132.27 50.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.398 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.773 ' C ' HD12 ' A' ' 39' ' ' ILE . 13.9 pt-20 -168.59 58.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.773 HD12 ' C ' ' A' ' 38' ' ' GLU . 2.0 mp -125.33 -90.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.747 ' N ' HG22 ' A' ' 39' ' ' ILE . 14.9 t -169.27 167.57 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.344 1.027 . . . . 0.0 110.204 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.89 HG22 HG23 ' A' ' 50' ' ' ILE . 3.6 t -139.24 148.44 23.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 O-C-N 124.512 1.132 . . . . 0.0 109.204 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -115.59 70.14 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.647 1.217 . . . . 0.0 110.145 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.447 ' OD1' ' CG1' ' A' ' 41' ' ' VAL . 44.2 m-20 -95.41 80.34 3.5 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 9.1 tpt85 -80.42 -66.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER 162.79 -49.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.759 1.287 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.87 95.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -133.22 171.18 14.37 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.378 1.049 . . . . 0.0 111.136 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.69 HG21 HG11 ' A' ' 23' ' ' VAL . 39.1 t -124.75 116.16 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 124.593 1.183 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.603 ' HG3' HD11 ' A' ' 16' ' ' ILE . 19.0 ttt180 -129.27 145.78 51.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.317 1.011 . . . . 0.0 110.345 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.89 HG23 HG22 ' A' ' 41' ' ' VAL . 58.4 mt -138.29 160.39 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.132 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' N ' HG22 ' A' ' 50' ' ' ILE . . . -148.81 132.81 17.18 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.618 1.199 . . . . 0.0 109.26 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.754 ' HA ' HD13 ' A' ' 39' ' ' ILE . . . -176.62 174.14 1.9 Allowed 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -41.94 163.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.7 49.02 1.83 Allowed Glycine 0 CA--C 1.527 0.817 0 O-C-N 124.627 1.205 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -162.49 63.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.368 0.687 . . . . 0.0 110.397 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -103.3 168.73 8.98 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.591 1.182 . . . . 0.0 109.311 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 56' ' ' LEU . 2.2 pp -151.13 135.27 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.653 1.221 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.11 129.97 45.88 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.634 1.209 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.3 p -122.73 10.38 9.63 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.539 1.15 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -87.87 33.86 0.72 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.575 1.172 . . . . 0.0 110.248 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -19.16 13.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.442 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 63' ' ' LEU . 11.1 t -69.84 -49.0 56.81 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.087 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -65.36 -38.39 89.93 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.557 1.161 . . . . 0.0 109.206 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.948 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -73.45 -26.04 60.76 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 124.367 1.042 . . . . 0.0 110.43 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.8 -38.8 45.76 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 68' ' ' GLY . 1.2 mm-40 -68.06 -47.76 67.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 110.115 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.809 HD11 HG11 ' A' ' 26' ' ' VAL . 56.3 mt -42.14 -28.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -156.19 65.33 0.31 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.622 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 8.0 mtt180 -50.35 -44.2 81.13 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.605 0.827 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.91 62.26 5.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.612 1.848 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.04 178.04 10.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.407 1.067 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -170.6 -168.8 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.238 0.961 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ASN . 5.6 ptt? -36.11 -55.95 0.76 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.296 0.998 . . . . 0.0 110.946 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -43.82 -45.13 7.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 110.21 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ASN . 2.3 mm-40 -75.09 -37.59 61.48 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.331 1.019 . . . . 0.0 110.097 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 71' ' ' PHE . 55.5 mt -57.91 -42.88 85.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.464 ' O ' HD11 ' A' ' 80' ' ' LEU . 15.1 tt0 -78.26 -13.27 59.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.064 . . . . 0.0 110.238 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -47.61 14.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.35 60.38 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.721 1.263 . . . . 0.0 109.37 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.696 ' HA ' HG22 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -151.94 162.52 40.93 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.548 1.155 . . . . 0.0 109.162 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.442 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -134.97 -57.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.585 1.178 . . . . 0.0 109.246 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.546 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -151.79 -175.97 5.44 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.492 1.12 . . . . 0.0 109.913 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 82' ' ' SER . 85.1 m-85 -162.84 -174.59 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.397 1.06 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -126.68 -44.07 1.69 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -119.26 -139.43 5.99 Favored Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.377 1.048 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -116.25 172.41 7.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 0.732 . . . . 0.0 110.175 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.953 HD12 ' CE2' ' A' ' 96' ' ' PHE . 11.5 tt -143.5 151.35 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.424 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -141.32 158.16 44.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.143 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.2 138.31 43.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.326 1.016 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 0.6 OUTLIER -108.53 -174.4 2.51 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.6 pt-20 -31.37 -55.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -149.71 62.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.271 0.982 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.49 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 1.2 pp0? -168.05 164.03 13.57 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.558 1.161 . . . . 0.0 110.398 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.716 HD11 HD11 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -143.56 118.52 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.19 163.85 13.48 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.434 1.084 . . . . 0.0 110.369 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.953 ' CE2' HD12 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -133.58 146.16 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.742 1.276 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 86' ' ' GLN . 54.2 p90 -159.76 152.92 21.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 98' ' ' PHE . 83.2 t80 -115.95 71.88 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -131.17 112.79 13.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.184 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.436 ' HG2' ' CB ' ' A' ' 8' ' ' LEU . 1.2 pttp -55.01 -169.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.287 0.992 . . . . 0.0 109.312 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' LYS . 2.8 t -36.15 135.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.395 1.06 . . . . 0.0 110.463 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.371 1.044 . . . . 0.0 110.95 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 m 60.62 114.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.342 1.026 . . . . 0.0 110.252 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -171.84 85.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.201 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -176.27 150.17 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.622 1.201 . . . . 0.0 109.232 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.84 129.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -160.29 168.74 24.66 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.04 95.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.83 1.331 . . . . 0.0 109.044 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.675 HD23 ' HB2' ' A' ' 100' ' ' LYS . 4.1 mt -139.59 78.84 1.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.442 1.089 . . . . 0.0 109.057 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' NE2' ' ND2' ' A' ' 10' ' ' ASN . 52.7 t-80 -177.12 144.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.525 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' NE2' ' A' ' 9' ' ' HIS . 7.2 p30 -42.77 141.12 1.14 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.397 1.06 . . . . 0.0 109.408 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -132.15 -87.96 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.072 . . . . 0.0 109.496 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -153.91 127.11 8.45 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.589 1.181 . . . . 0.0 109.217 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.724 HG12 ' HA3' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -108.05 163.83 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.375 1.047 . . . . 0.0 109.244 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.684 ' N ' ' HB3' ' A' ' 84' ' ' ALA . . . -158.5 83.99 0.13 Allowed Glycine 0 CA--C 1.527 0.8 0 O-C-N 124.624 1.202 . . . . 0.0 110.992 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.561 ' O ' HD12 ' A' ' 16' ' ' ILE . 18.8 Cg_endo -74.96 129.15 12.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.341 1.706 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.597 HG22 ' HB3' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -111.06 109.93 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.591 1.182 . . . . 0.0 109.48 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -119.64 167.61 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.367 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 158.46 32.56 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.673 1.233 . . . . 0.0 110.256 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.406 ' HA ' HG23 ' A' ' 48' ' ' VAL . . . -90.27 107.67 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.397 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.99 -92.05 0.43 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 0.0 111.174 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.57 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.676 0.868 . . . . 0.0 109.137 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -106.65 18.9 21.27 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.577 1.173 . . . . 0.0 109.151 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.723 HG11 HG21 ' A' ' 48' ' ' VAL . 1.4 t -77.55 -10.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 124.627 1.204 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.55 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.3 OUTLIER -76.71 -59.32 0.99 Allowed Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.396 1.06 . . . . 0.0 110.178 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.55 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -74.88 -10.49 21.43 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.639 1.863 . . . . 0.0 110.938 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.942 HG11 HD11 ' A' ' 67' ' ' LEU . 16.4 t -89.92 -43.31 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.376 1.048 . . . . 0.0 109.188 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 23' ' ' VAL . 3.8 tp -70.64 -34.36 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.64 -42.74 70.43 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.686 1.241 . . . . 0.0 110.238 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.3 m -77.73 -26.37 49.97 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.462 1.101 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' VAL . . . -79.63 -22.36 43.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -84.25 -42.61 15.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.665 1.228 . . . . 0.0 110.426 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 28' ' ' GLU . 1.5 pp -65.22 -30.0 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.437 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -36.34 84.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.91 165.85 13.22 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.9 55.81 4.0 Favored 'Trans proline' 0 C--N 1.358 1.046 0 O-C-N 124.623 1.854 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.74 58.49 1.84 Allowed Glycine 0 CA--C 1.527 0.793 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 31.59 1.36 Allowed 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 124.323 0.661 . . . . 0.0 109.297 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 3.2 pt-20 -178.31 59.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.222 0.951 . . . . 0.0 110.268 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 40' ' ' THR . 41.9 mm -120.64 165.16 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.357 1.036 . . . . 0.0 109.432 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.492 ' N ' HG22 ' A' ' 39' ' ' ILE . 6.2 m -131.27 113.48 13.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.333 1.021 . . . . 0.0 110.305 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.38 144.99 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.176 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.42 82.08 2.0 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.687 1.242 . . . . 0.0 110.254 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.77 98.03 9.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.625 1.203 . . . . 0.0 109.331 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -79.98 -76.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.313 1.008 . . . . 0.0 110.36 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.01 -46.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.108 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' CD1' ' A' ' 47' ' ' TYR . . . -76.98 -33.38 57.63 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 33.7 m-85 -145.96 177.94 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.723 HG21 HG11 ' A' ' 23' ' ' VAL . 38.5 t -120.07 128.48 75.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.703 1.252 . . . . 0.0 109.378 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 7.4 ttt180 -123.63 156.09 36.49 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.478 1.111 . . . . 0.0 110.205 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.468 HG22 ' H ' ' A' ' 51' ' ' ALA . 7.7 mt -141.15 168.51 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.468 ' H ' HG22 ' A' ' 50' ' ' ILE . . . -148.71 116.47 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.32 1.013 . . . . 0.0 109.333 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -123.32 -174.5 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.302 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.03 -33.91 24.4 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.92 40.48 0.34 Allowed Glycine 0 CA--C 1.527 0.819 0 O-C-N 124.457 1.098 . . . . 0.0 111.25 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 4.2 pt-20 -178.03 110.78 0.07 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.33 0.665 . . . . 0.0 110.293 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.542 HD11 ' CB ' ' A' ' 52' ' ' ALA . 16.9 mt -146.95 167.74 23.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 109.215 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.49 123.96 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.353 1.033 . . . . 0.0 109.555 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.08 123.78 43.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.612 1.195 . . . . 0.0 109.247 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.1 p -119.64 6.38 11.02 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.628 1.205 . . . . 0.0 110.438 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.52 46.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.179 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -21.73 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.269 0.981 . . . . 0.0 109.416 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 63' ' ' LEU . 8.8 t -70.38 -51.91 26.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.698 1.249 . . . . 0.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.772 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -67.89 -29.11 68.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.694 1.246 . . . . 0.0 109.166 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.618 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.7 mt-10 -80.11 -24.07 40.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.15 -35.26 31.72 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.562 1.164 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -70.96 -46.19 62.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.346 1.029 . . . . 0.0 110.234 179.845 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.942 HD11 HG11 ' A' ' 26' ' ' VAL . 21.5 mt -40.78 -31.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.66 65.3 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.623 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 22.2 mtp180 -51.81 -44.05 89.97 Favored Pre-proline 0 C--N 1.322 -0.618 0 O-C-N 124.525 0.78 . . . . 0.0 110.347 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -75.0 64.64 6.06 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.414 1.744 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.971 ' CE2' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -160.88 -169.99 2.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.827 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -171.39 -175.52 1.65 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.311 1.007 . . . . 0.0 109.34 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.491 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -49.34 -75.1 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.324 1.015 . . . . 0.0 111.122 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.477 ' HB2' ' CE ' ' A' ' 73' ' ' MET . 1.9 tt0 -38.44 -52.98 1.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.523 1.14 . . . . 0.0 110.49 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -62.28 -39.19 92.12 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 124.634 1.209 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.971 HD11 ' CE2' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -52.31 -52.96 50.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 124.361 1.038 . . . . 0.0 109.362 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.63 ' O ' HD21 ' A' ' 80' ' ' LEU . 6.9 tt0 -63.11 -15.9 58.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.183 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -90.56 -38.55 10.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.36 1.038 . . . . 0.0 109.316 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -79.29 66.25 4.69 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 124.581 1.176 . . . . 0.0 109.247 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.63 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -146.09 166.58 25.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.622 1.201 . . . . 0.0 109.287 179.723 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.597 ' HB3' HG22 ' A' ' 16' ' ' ILE . . . -118.3 -54.1 2.31 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.594 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -170.74 179.53 3.19 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 82' ' ' SER . 42.2 m-85 -164.92 152.85 11.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.635 1.21 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.684 ' HB3' ' N ' ' A' ' 14' ' ' GLY . . . -108.08 -21.91 12.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.724 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -119.78 -160.2 11.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -111.86 168.85 9.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.594 0.82 . . . . 0.0 110.369 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.533 HG22 ' CD2' ' A' ' 96' ' ' PHE . 1.8 pt -149.8 151.06 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 109.181 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 89' ' ' ALA . 2.3 tt0 -148.34 138.46 22.52 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.329 1.018 . . . . 0.0 110.179 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 88' ' ' GLN . . . -110.46 149.08 30.81 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.258 0.974 . . . . 0.0 109.145 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -120.41 -173.63 2.61 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.398 1.061 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.1 pt-20 -29.72 -61.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 92' ' ' ASP . 9.6 p-10 -146.97 60.86 1.19 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 124.699 1.25 . . . . 0.0 109.434 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 6.1 pt20 -173.44 179.16 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.353 1.033 . . . . 0.0 110.249 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.51 HD11 ' HE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -160.83 126.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.195 . . . . 0.0 109.192 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.21 137.1 54.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.533 ' CD2' HG22 ' A' ' 87' ' ' ILE . 4.1 m-85 -95.37 156.74 16.19 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -176.84 150.44 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.71 1.256 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -104.91 -20.77 13.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.71 117.88 2.03 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.675 ' HB2' HD23 ' A' ' 8' ' ' LEU . 1.1 mptp? -51.67 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.633 1.208 . . . . 0.0 109.468 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 t -76.58 131.78 39.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.29 0.993 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 O-C-N 124.593 1.183 . . . . 0.0 111.231 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 t -141.38 44.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.443 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -159.72 178.83 9.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.397 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.47 174.7 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.292 0.995 . . . . 0.0 109.389 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -149.58 171.24 16.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.393 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.8 -166.66 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.98 74.95 0.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.371 1.044 . . . . 0.0 109.27 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' ASN . 2.4 pp -173.91 -166.67 0.31 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.624 1.202 . . . . 0.0 109.195 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.519 ' CD2' ' C ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER 68.7 -60.56 0.44 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.497 1.123 . . . . 0.0 109.697 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 5.2 p-10 -163.39 51.99 0.16 Allowed 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 124.558 1.162 . . . . 0.0 109.345 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.69 -63.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.403 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -162.04 176.22 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.096 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 2.0 m -106.14 132.49 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.421 1.076 . . . . 0.0 109.269 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.563 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -136.07 73.22 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.1 Cg_endo -75.13 132.39 15.2 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.648 1.868 . . . . 0.0 110.796 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 15' ' ' PRO . 4.5 mm -123.15 139.23 50.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.372 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 pt -150.87 161.96 3.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 8.4 ptm180 -99.35 51.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.419 1.074 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.65 ' HB3' HG23 ' A' ' 48' ' ' VAL . . . -57.79 -161.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.338 1.024 . . . . 0.0 109.187 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.16 46.92 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.254 0.971 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -147.02 -65.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.388 0.699 . . . . 0.0 109.403 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -148.57 21.4 1.04 Allowed 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' HB ' ' HB1' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -78.34 -10.77 13.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 124.516 1.135 . . . . 0.0 109.192 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 1.5 mt-10 -74.84 -58.96 1.53 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.326 1.016 . . . . 0.0 110.198 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 17.9 Cg_endo -75.1 -13.48 21.19 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.501 1.79 . . . . 0.0 110.777 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.122 HG22 HD11 ' A' ' 63' ' ' LEU . 4.5 t -85.11 -40.92 15.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 124.648 1.217 . . . . 0.0 109.195 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 24' ' ' GLU . 6.8 tp -71.58 -40.66 71.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.293 0.996 . . . . 0.0 109.411 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.879 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -62.78 -39.75 95.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.352 1.032 . . . . 0.0 110.13 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.0 m -78.73 -31.39 46.35 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.58 58.78 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -87.29 -40.96 14.03 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.544 1.153 . . . . 0.0 110.4 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.879 HG23 ' O ' ' A' ' 28' ' ' GLU . 9.6 pt -63.27 -34.56 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.118 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.32 -39.32 79.1 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -96.14 177.34 1.77 Allowed Pre-proline 0 N--CA 1.449 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.386 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 18.2 Cg_endo -75.09 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.395 1.734 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' PRO . . . 37.71 31.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.407 1.067 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -90.78 33.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 0.762 . . . . 0.0 109.276 -179.852 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.48 ' C ' HD12 ' A' ' 39' ' ' ILE . 5.5 pt-20 179.59 46.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.48 HD12 ' C ' ' A' ' 38' ' ' GLU . 1.5 mp -144.56 161.46 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.657 1.223 . . . . 0.0 109.178 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 22.7 m -128.6 154.77 45.88 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.444 1.09 . . . . 0.0 110.394 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 42' ' ' GLU . 60.2 t -117.1 162.5 15.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 124.552 1.158 . . . . 0.0 109.459 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -141.61 84.98 1.93 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -94.91 122.08 37.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.63 1.206 . . . . 0.0 109.36 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 25.2 tpt180 -94.23 -42.43 8.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.41 1.069 . . . . 0.0 110.245 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 158.68 -65.76 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.381 1.051 . . . . 0.0 110.154 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' ALA . . . -85.72 -60.07 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.14 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 18' ' ' ARG . 54.9 m-85 -75.67 179.34 5.44 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.696 1.247 . . . . 0.0 110.766 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 19' ' ' ALA . 55.1 t -147.08 125.92 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.626 1.204 . . . . 0.0 109.205 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' N ' ' A' ' 50' ' ' ILE . 20.2 ttt180 -125.67 155.58 40.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.353 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.441 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 12.9 mt -132.83 153.32 37.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 0.0 109.346 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.99 79.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.224 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.096 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . . . -92.26 174.76 7.13 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.637 1.211 . . . . 0.0 109.189 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -90.2 -132.7 0.1 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.49 1.119 . . . . 0.0 110.454 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.567 ' HA2' ' CD2' ' A' ' 98' ' ' PHE . . . -53.67 -96.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.311 1.007 . . . . 0.0 110.783 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.485 ' C ' HD22 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -122.6 146.66 47.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.407 0.71 . . . . 0.0 110.343 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.719 ' CD2' ' HB1' ' A' ' 52' ' ' ALA . 4.2 mm? -120.47 -173.1 2.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.282 0.989 . . . . 0.0 109.489 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.802 HD12 ' H ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -147.8 149.19 15.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.802 ' H ' HD12 ' A' ' 57' ' ' ILE . 44.4 mt -148.87 129.75 14.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.409 1.068 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.9 p -117.05 12.67 14.63 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.342 1.026 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.51 32.5 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.41 1.069 . . . . 0.0 110.202 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -56.55 -24.56 47.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.627 1.204 . . . . 0.0 109.19 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 t -73.57 -35.41 65.45 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.294 0.996 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.122 HD11 HG22 ' A' ' 26' ' ' VAL . 1.9 tp -69.49 -43.85 72.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.564 1.165 . . . . 0.0 109.417 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -34.88 66.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.14 . . . . 0.0 110.183 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.62 -38.94 73.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.364 1.04 . . . . 0.0 110.181 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.2 mt-30 -62.12 -47.71 83.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.668 1.23 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.085 HD11 HG21 ' A' ' 26' ' ' VAL . 79.0 mt -39.58 -31.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.782 1.301 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.619 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -158.39 65.89 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.573 1.171 . . . . 0.0 110.92 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 43.1 mtm180 -52.16 -44.01 91.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.85 61.29 5.51 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -159.35 -160.42 0.84 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 124.657 1.223 . . . . 0.0 110.989 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.559 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -149.02 -165.17 2.21 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.564 1.165 . . . . 0.0 109.202 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -14.82 59.21 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.477 1.11 . . . . 0.0 110.941 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -58.25 -47.01 84.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' ASN . 2.0 mt-10 -53.99 -31.15 49.99 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.358 1.036 . . . . 0.0 110.188 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.98 -49.97 72.58 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.48 1.113 . . . . 0.0 109.225 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.91 -18.44 50.54 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.488 1.118 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.701 HG22 ' N ' ' A' ' 79' ' ' ASN . 1.2 mp -85.93 -68.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.163 . . . . 0.0 109.237 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.701 ' N ' HG22 ' A' ' 78' ' ' ILE . 94.8 m-20 -71.9 77.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.599 1.187 . . . . 0.0 109.174 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -146.09 163.83 34.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.705 1.253 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.47 -62.87 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.5 1.125 . . . . 0.0 109.124 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.551 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -154.81 -178.16 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.083 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 82' ' ' SER . 33.7 m-85 -169.73 175.79 5.14 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.713 ' HB1' ' HE2' ' A' ' 100' ' ' LYS . . . -116.16 -74.32 0.61 Allowed 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.541 1.15 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.42 -137.16 6.26 Favored Glycine 0 CA--C 1.533 1.196 0 O-C-N 124.566 1.167 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.68 176.93 7.91 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 124.565 0.803 . . . . 0.0 110.289 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.58 ' CG2' ' CZ ' ' A' ' 96' ' ' PHE . 19.4 pt -135.63 155.82 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.733 1.271 . . . . 0.0 109.265 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -135.43 138.37 43.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.254 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.12 131.66 56.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' HG3' ' A' ' 93' ' ' GLN . 5.2 t0 -100.65 -177.53 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.38 1.05 . . . . 0.0 109.146 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.8 pt-20 -33.53 -54.99 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.559 1.162 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -147.24 60.84 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.76 ' NE2' HH11 ' A' ' 95' ' ' ARG . 0.0 OUTLIER -170.19 170.83 7.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.21 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.769 HD13 ' N ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -150.51 139.52 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.602 1.189 . . . . 0.0 109.376 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.769 ' N ' HD13 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -132.96 175.97 8.9 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.333 1.02 . . . . 0.0 110.254 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.58 ' CZ ' ' CG2' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -132.43 160.42 36.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CE2' ' HG3' ' A' ' 95' ' ' ARG . 98.4 m-85 -148.34 143.27 26.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -85.8 14.35 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.061 . . . . 0.0 110.943 -179.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.84 104.28 16.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.626 1.204 . . . . 0.0 109.236 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.713 ' HE2' ' HB1' ' A' ' 84' ' ' ALA . 7.2 mttt -83.36 -79.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.611 1.195 . . . . 0.0 109.239 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 101' ' ' THR . 9.8 t -79.38 70.77 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.33 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.607 0 O-C-N 124.484 1.115 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 stop_ save_