data_1zw8_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 1zw8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 tttt . . . . . 0 N--CA 1.463 0.197 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.479 ' N ' HD22 ' A' ' 20' ' ' LEU . 5.6 t -59.28 125.28 22.96 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.04 23.77 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.461 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 9.5 m95 -83.12 131.7 35.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.808 0.337 . . . . 0.0 110.302 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -40.23 94.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.558 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -87.07 4.66 41.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.953 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 22.7 t -109.38 122.09 40.58 Favored Pre-proline 0 C--N 1.332 -0.185 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.673 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.7 Cg_endo -102.08 19.15 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.588 2.858 . . . . 0.0 112.511 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -112.14 143.39 43.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.099 0.476 . . . . 0.0 111.823 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.8 p -114.18 163.54 15.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.625 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 19' ' ' ASP . . . -110.63 156.03 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -92.27 -25.46 18.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.467 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.46 157.44 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.696 0.284 . . . . 0.0 111.058 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.45 -36.0 31.33 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.243 0.544 . . . . 0.0 110.073 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.32 -33.62 71.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.716 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 17.1 t0 -58.43 -44.9 89.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.186 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -68.65 -39.39 80.73 Favored 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.877 179.583 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.54 -48.26 79.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.591 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -72.29 -35.39 68.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.557 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.5 t60 -69.12 -47.56 64.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.663 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -69.3 -42.4 75.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.876 0.37 . . . . 0.0 111.599 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.418 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -66.31 -46.6 76.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.676 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -80.08 -41.81 24.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 15.9 t70 -83.76 -45.2 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -176.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.663 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.7 m-70 . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -127.21 152.74 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.624 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -60.08 142.45 54.09 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.461 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.5 m-80 -107.55 35.11 3.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.262 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.441 ' CZ3' HG21 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.45 148.22 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.444 179.008 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -57.52 -46.65 83.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -101.05 -20.3 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.07 138.44 38.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.175 0.512 . . . . 0.0 112.02 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.63 22.67 12.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.097 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 23.0 t80 -63.89 142.39 58.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.046 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 3.8 tp -139.43 143.11 37.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.95 169.0 24.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.82 -32.04 31.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.22 166.53 24.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.9 t -60.17 -33.9 72.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.521 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -64.2 -36.87 85.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.0 m -63.78 -33.64 76.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.673 ' O ' HG13 ' A' ' 61' ' ' ILE . 42.4 mt -72.53 -47.73 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.832 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 55' ' ' ALA . 3.1 m -55.29 -34.64 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.625 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.552 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -68.92 -41.23 78.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.521 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 7.5 t60 -70.48 -43.92 68.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.913 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.673 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -57.77 -44.38 85.87 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.78 -37.08 85.35 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.089 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.59 -44.34 19.13 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 71.0 mm-40 -93.82 -18.8 21.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.21 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.2 m-70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.192 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 5.4 t -59.75 125.86 25.31 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 10.52 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.429 ' CD1' ' CZ2' ' A' ' 44' ' ' TRP . 13.1 m95 -81.31 131.7 35.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.333 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -70.76 -39.89 72.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.665 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.08 12.21 11.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.6 t -109.4 122.63 38.95 Favored Pre-proline 0 CA--C 1.531 0.214 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.469 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 52.3 Cg_endo -99.74 18.58 0.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 123.385 2.723 . . . . 0.0 112.772 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -114.07 143.27 45.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.977 0.418 . . . . 0.0 111.58 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -115.15 162.99 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.894 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -112.81 157.4 21.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -91.28 -34.07 15.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.8 t -141.17 170.38 15.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.863 0.363 . . . . 0.0 111.523 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 tp -50.35 -40.47 49.28 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.672 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -35.34 73.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.964 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.415 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 6.3 t70 -62.7 -45.26 93.56 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -63.33 -41.11 98.86 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.455 179.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.515 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 3.5 tt0 -66.12 -50.33 64.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -46.4 89.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.439 . . . . 0.0 110.513 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.2 t60 -62.22 -34.11 75.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.833 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.492 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -69.56 -48.7 59.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.848 -179.664 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -66.1 -44.83 83.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.627 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -78.71 -41.71 30.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 18.1 t0 -83.37 -43.6 15.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.492 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.4 m-70 . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.453 ' CD1' ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 121.053 0.454 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -118.45 153.03 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.908 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.58 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 4.0 t -59.51 142.52 52.37 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -106.99 38.72 2.03 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.496 ' CZ3' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.55 148.29 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.934 0.397 . . . . 0.0 110.262 178.718 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -50.79 -52.3 42.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -101.31 -26.16 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.0 t -64.98 137.46 57.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.206 0.527 . . . . 0.0 112.048 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -117.02 25.21 10.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.035 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.58 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 40.0 t80 -63.79 142.8 58.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.259 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 2.2 tp -134.46 143.02 47.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.28 163.66 25.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.598 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.55 -30.24 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.702 0.286 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -133.77 166.5 22.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.43 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 2.8 p -57.33 -49.06 77.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.8 -36.12 71.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -57.45 -36.54 71.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.713 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.695 ' O ' HG13 ' A' ' 61' ' ' ILE . 78.8 mt -72.58 -47.77 49.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.647 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 m -55.86 -37.15 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.621 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -65.25 -42.56 93.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.545 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 9.2 t60 -70.17 -43.15 71.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.812 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.695 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -57.85 -44.17 85.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -65.64 -37.59 86.99 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.019 -179.45 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.65 -44.48 18.77 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.497 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 22.1 mm-40 -94.0 -15.56 24.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.205 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.614 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.0 m-70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.084 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.32 125.27 22.93 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.53 0.84 28.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.405 ' CD1' ' CZ2' ' A' ' 44' ' ' TRP . 15.2 m95 -72.93 131.65 42.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.247 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -38.3 70.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.75 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -86.38 9.96 16.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.832 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -109.51 122.67 38.71 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 120.583 0.23 . . . . 0.0 111.447 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -99.5 13.48 0.58 Allowed 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.399 2.733 . . . . 0.0 112.792 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.66 143.3 34.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.95 0.405 . . . . 0.0 111.667 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 t -115.53 163.15 16.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.913 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.72 156.85 21.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -89.38 -34.15 16.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.585 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 m -141.29 170.09 16.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.099 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -50.62 -35.55 30.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.988 0.423 . . . . 0.0 110.776 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -70.28 -35.36 73.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.991 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -59.83 -45.58 91.94 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.501 -179.036 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -63.09 -46.19 88.55 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.004 178.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -43.34 98.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.23 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -70.79 -45.89 63.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.501 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.4 t60 -65.44 -47.08 77.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.051 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.716 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.8 OUTLIER -64.02 -41.76 97.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.226 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.557 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 1.4 tt -66.33 -46.52 76.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.889 0.376 . . . . 0.0 111.597 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -79.18 -40.72 30.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 10.5 t70 -83.38 -45.39 13.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.716 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.8 m-70 . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 5.6 tp . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.839 0.352 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -102.97 151.37 22.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.278 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.584 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.2 t -61.4 142.81 56.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.852 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.33 37.67 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.478 ' CZ3' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.46 148.31 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.352 178.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -50.92 -53.62 31.23 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.41 -26.23 13.66 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.2 t -65.29 137.57 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.101 0.477 . . . . 0.0 111.82 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.29 28.11 8.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.08 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.586 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 28.2 t80 -63.84 142.83 58.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.329 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 15.8 tp -136.28 137.99 41.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.71 169.09 22.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.23 -30.4 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 111.117 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.12 -174.69 4.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.047 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.4 p -66.02 -40.62 91.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -59.98 -36.6 77.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -64.82 -32.71 74.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.36 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.712 ' O ' HG13 ' A' ' 61' ' ' ILE . 73.3 mt -71.67 -47.7 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 59' ' ' ASN . 24.7 m -55.22 -34.35 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.939 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.561 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.13 -43.13 74.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.586 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 15.5 t60 -70.44 -42.11 71.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.88 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.712 HG13 ' O ' ' A' ' 57' ' ' ILE . 2.1 mt -60.22 -45.68 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.949 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -66.1 -37.29 85.39 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.062 -179.404 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.76 -44.48 18.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.486 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 23.2 mm-40 -93.95 -18.79 21.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.369 -178.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.554 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 90.7 m-70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.01 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.4 tttt . . . . . 0 N--CA 1.463 0.207 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . 10.7 t -57.73 125.34 22.57 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -100.46 25.93 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.481 ' CH2' ' HB3' ' A' ' 28' ' ' HIS . 11.6 m95 -83.26 131.71 35.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.801 0.334 . . . . 0.0 110.614 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -66.72 -36.99 83.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 3.1 47.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.724 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.5 t -109.32 122.4 39.71 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-O 120.612 0.244 . . . . 0.0 111.374 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -100.14 34.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.348 2.699 . . . . 0.0 112.529 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.23 143.28 40.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.011 0.434 . . . . 0.0 111.677 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.2 p -121.32 163.4 18.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.506 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . . . -110.64 155.32 22.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -13.02 23.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.3 m -142.37 154.6 44.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.703 0.287 . . . . 0.0 111.36 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 tp -52.1 -35.28 47.42 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.292 0.568 . . . . 0.0 110.392 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.91 -34.66 71.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.19 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 31.0 m-20 -59.35 -45.37 91.57 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -178.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 16.4 tp -72.09 -38.64 69.32 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.534 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -48.33 76.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 109.95 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -36.05 66.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 t60 -69.62 -47.67 62.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.362 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.596 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -69.33 -49.14 58.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.989 0.423 . . . . 0.0 111.615 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -45.81 89.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.888 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -42.2 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 4.2 t0 -84.79 -46.3 11.51 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.596 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.1 m-70 . . . . . 0 C--N 1.33 -0.248 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.499 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.9 0.381 . . . . 0.0 111.085 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 50' ' ' LEU . . . -105.02 151.71 23.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.836 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 142.42 55.61 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.416 -0.586 . . . . 0.0 109.416 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.451 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 m-80 -107.94 35.48 3.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.049 -177.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.468 ' CH2' ' CB ' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -94.59 148.34 22.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.032 0.444 . . . . 0.0 110.788 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -50.28 66.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.426 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.2 -26.19 13.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 5.8 t -67.07 133.95 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.482 . . . . 0.0 111.717 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.67 20.61 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.242 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 11.0 t80 -63.98 142.67 58.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.262 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -134.74 139.06 44.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.073 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.438 ' N ' ' CD2' ' A' ' 50' ' ' LEU . . . -129.45 152.69 19.62 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.616 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -72.9 -32.13 65.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.699 0.285 . . . . 0.0 111.507 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.456 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -139.18 156.66 46.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.761 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.441 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 67.6 p -53.04 -38.23 62.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.822 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . . . -68.2 -35.49 78.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.509 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 m -72.06 -42.78 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.034 0.445 . . . . 0.0 110.227 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.508 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -68.85 -48.04 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.348 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.468 ' HA ' HG13 ' A' ' 61' ' ' ILE . 11.7 p -55.66 -34.74 36.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 121.012 0.434 . . . . 0.0 109.906 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.48 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -58.18 -39.8 79.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.519 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 4.0 t60 -70.88 -39.5 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.59 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.625 ' HA ' ' HD2' ' A' ' 65' ' ' HIS . 3.7 mt -60.16 -43.68 93.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.873 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.501 ' ND2' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -65.89 -40.0 91.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.199 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.501 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.11 -43.56 21.5 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.416 ' HG2' ' CE1' ' A' ' 60' ' ' HIS . 8.9 mp0 -92.58 -12.77 30.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.065 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.625 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 81.9 m-70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.719 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt . . . . . 0 N--CA 1.463 0.199 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.1 t -57.83 125.17 21.88 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.21 23.55 12.24 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 8.9 m95 -72.93 131.58 42.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -41.79 98.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.536 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.95 6.55 31.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.756 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 19.7 t -109.53 122.53 39.12 Favored Pre-proline 0 C--N 1.332 -0.178 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -101.4 37.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.563 2.842 . . . . 0.0 112.538 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -141.02 143.45 34.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.0 111.699 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -120.3 163.27 18.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.657 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.414 ' HB2' ' CB ' ' A' ' 19' ' ' ASP . . . -110.59 156.43 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.8 -21.78 20.49 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.33 170.09 16.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.606 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tp -54.41 -41.84 69.77 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -70.39 -34.61 72.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.273 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -59.46 -46.67 88.1 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.798 -178.334 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -74.37 -41.37 61.11 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.651 178.275 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -57.93 -47.15 83.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.622 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.561 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -69.66 -39.64 76.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.594 179.789 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.8 t60 -70.06 -43.98 70.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.037 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.7 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -69.83 -48.87 57.33 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -178.015 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.561 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -64.73 -44.13 91.15 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.83 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 25' ' ' LEU . 25.6 mmtt -78.62 -41.57 31.26 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 4.9 t70 -83.24 -45.87 13.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.7 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.6 m-70 . . . . . 0 C--N 1.328 -0.355 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 121.027 0.441 . . . . 0.0 110.549 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -112.26 152.8 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.0 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.594 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 3.5 t -59.99 142.42 53.91 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.451 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -110.36 38.49 2.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.236 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CZ3' HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.38 148.14 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.285 178.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -46.1 83.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -101.23 -26.05 13.78 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.7 t -72.48 140.05 48.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.105 0.479 . . . . 0.0 111.892 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.41 25.36 10.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.192 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.594 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 38.6 t80 -63.94 142.39 58.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.119 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.9 tt -138.7 139.99 38.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.9 169.21 23.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -90.55 -32.08 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.45 165.66 22.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.036 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -44.49 97.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.782 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.5 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -58.32 -36.57 73.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -33.86 72.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.703 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.682 ' O ' HG13 ' A' ' 61' ' ' ILE . 79.5 mt -72.52 -47.83 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.718 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.0 m -55.82 -34.68 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.749 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.2 t30 -68.01 -41.49 82.12 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.555 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 8.6 t60 -70.39 -44.14 68.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.823 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.682 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -57.65 -44.33 85.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.082 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.62 -37.59 87.02 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.979 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.3 -45.18 18.3 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.35 -16.27 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.624 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.5 m-70 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.743 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.421 ' N ' HD22 ' A' ' 20' ' ' LEU . 3.4 t -58.95 125.34 23.17 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -94.42 22.55 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.435 ' CH2' ' HB3' ' A' ' 28' ' ' HIS . 15.2 m95 -83.15 131.8 35.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.331 . . . . 0.0 110.327 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -66.76 -39.81 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.346 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.09 7.73 26.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.823 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 t -109.44 122.39 39.62 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.483 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -101.16 22.97 0.17 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.516 2.811 . . . . 0.0 112.697 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.71 143.33 49.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.991 0.424 . . . . 0.0 111.793 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -119.8 163.12 17.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.548 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.87 156.0 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.334 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.7 p -96.12 -18.72 19.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.411 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 m -141.13 154.11 45.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 110.794 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.62 -35.11 28.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.155 0.503 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -34.09 72.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.224 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.96 -44.94 91.56 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -70.14 -39.89 75.13 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.227 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -57.8 -48.01 80.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.603 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 5.8 ttt85 -70.1 -39.52 75.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.718 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.467 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.6 t60 -69.14 -47.44 65.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.724 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -66.25 -44.83 82.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.957 0.408 . . . . 0.0 111.741 -179.418 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -45.94 78.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.723 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 6.9 mmpt? -79.55 -41.4 27.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 15.0 t0 -83.43 -45.54 13.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -177.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.724 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.9 m-70 . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.855 0.359 . . . . 0.0 110.467 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.68 151.85 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.929 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.7 t -61.08 142.86 56.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.538 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.417 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -105.79 36.34 2.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.92 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.31 148.14 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.283 178.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.55 -52.69 45.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.37 -26.14 13.71 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.15 139.68 58.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.184 0.516 . . . . 0.0 111.975 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -120.31 24.43 10.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.193 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.551 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 19.1 t80 -63.79 142.52 58.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.32 145.0 44.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.997 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.27 169.12 24.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -81.8 -31.82 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.28 170.73 15.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.079 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.6 m -61.07 -40.73 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' A' ' 58' ' ' VAL . . . -58.39 -39.82 80.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.788 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t -59.67 -33.12 71.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.445 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.666 ' O ' HG13 ' A' ' 61' ' ' ILE . 50.7 mt -71.34 -46.51 64.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.352 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG23 ' N ' ' A' ' 59' ' ' ASN . 4.3 m -55.2 -34.4 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.585 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.09 -41.55 77.33 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.614 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.551 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 9.0 t60 -70.64 -43.05 70.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.736 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.666 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -57.88 -45.49 87.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.957 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.81 -36.8 84.53 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.124 -179.265 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.493 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.49 -44.66 18.81 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.506 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 51.4 mm-40 -94.13 -18.81 21.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.312 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.601 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.9 m-70 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt . . . . . 0 N--CA 1.462 0.162 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.419 ' CA ' HD21 ' A' ' 20' ' ' LEU . 7.5 t -58.99 125.21 22.64 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -95.91 23.35 6.43 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.43 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 9.1 m95 -82.14 131.76 35.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.814 0.34 . . . . 0.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -39.51 90.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.536 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.06 3.72 44.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.893 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 31.3 t -109.57 122.37 39.57 Favored Pre-proline 0 C--N 1.332 -0.186 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.736 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.6 Cg_endo -101.41 21.44 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.568 2.845 . . . . 0.0 112.518 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.28 143.42 44.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.079 0.466 . . . . 0.0 111.895 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -114.97 163.68 15.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.51 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.49 156.29 21.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.224 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.41 -25.72 18.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.47 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.59 158.42 43.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.004 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.62 -43.0 56.77 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.128 0.489 . . . . 0.0 110.289 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -62.52 -33.62 75.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.634 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -58.57 -44.97 89.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.99 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -62.76 -43.42 98.84 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.842 179.476 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.421 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 4.6 tt0 -57.75 -48.19 80.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -71.99 -36.89 69.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.668 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 3.5 t60 -69.21 -47.53 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.678 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -69.33 -48.48 61.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.369 . . . . 0.0 111.53 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.14 -45.44 91.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.359 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -42.19 27.03 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 3.3 t0 -84.41 -46.32 11.82 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.678 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 98.9 m-70 . . . . . 0 C--N 1.329 -0.323 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.952 0.406 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -114.44 152.41 31.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.627 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.42 142.64 54.76 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.43 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 m-80 -106.82 35.33 3.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.073 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.419 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.39 148.1 22.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.478 179.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -47.86 77.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.477 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.3 -26.1 13.74 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.9 t -68.95 136.66 52.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.127 0.489 . . . . 0.0 111.969 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -115.9 22.53 12.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.173 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 25.1 t80 -64.02 142.3 58.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.254 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 1.7 pp -138.36 141.13 39.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.861 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.97 169.1 21.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.68 -31.81 22.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -137.43 169.63 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.3 p -60.66 -34.95 75.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.415 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -66.98 -37.35 84.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 m -57.96 -33.6 69.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.517 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.729 ' O ' HG13 ' A' ' 61' ' ' ILE . 90.5 mt -71.74 -46.57 61.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.254 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.576 HG21 ' N ' ' A' ' 59' ' ' ASN . 3.0 m -55.17 -34.33 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.576 ' N ' HG21 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -69.67 -45.18 68.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.869 178.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.538 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 9.6 t60 -70.08 -44.67 68.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.729 HG13 ' O ' ' A' ' 57' ' ' ILE . 2.5 mt -57.72 -44.78 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.79 -36.37 83.34 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.782 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.515 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.59 -44.8 18.38 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.479 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 57.6 mm-40 -94.18 -16.95 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.181 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.625 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.1 m-70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.212 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.504 ' N ' HD22 ' A' ' 20' ' ' LEU . 1.8 t -58.93 125.19 22.56 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.8 23.52 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.698 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.467 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 8.5 m95 -82.99 131.79 35.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -43.74 89.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.679 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.31 12.47 11.86 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -109.35 122.46 39.49 Favored Pre-proline 0 C--N 1.332 -0.19 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.629 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -101.14 25.97 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.456 2.771 . . . . 0.0 112.591 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.48 143.35 51.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.056 0.455 . . . . 0.0 111.755 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -118.32 163.31 16.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.616 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.72 155.84 21.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.254 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.1 -19.9 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.482 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.27 155.19 46.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tp -50.45 -35.53 29.2 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.158 0.504 . . . . 0.0 110.229 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -70.38 -33.68 71.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.953 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.62 -44.96 90.15 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -69.9 -41.24 74.95 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.048 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -57.8 -43.91 85.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.55 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -72.25 -42.9 65.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.422 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -69.64 -40.76 76.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.763 -179.416 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.669 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.9 OUTLIER -69.98 -49.21 53.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.453 HD23 ' HB3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -63.92 -43.85 94.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.342 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HB3' HD23 ' A' ' 25' ' ' LEU . 9.7 ptpt -78.81 -41.72 29.55 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 t70 -83.97 -46.0 12.54 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 98.4 m-70 . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 121.065 0.46 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -98.45 153.17 18.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.677 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 2.5 t -59.73 140.49 56.45 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.503 ' ND2' ' N ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -98.04 30.14 3.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.741 -177.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.456 ' CZ3' HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.55 148.54 22.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.107 0.479 . . . . 0.0 111.048 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.77 -49.7 75.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.619 -179.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -101.08 -26.29 13.75 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.8 t -65.87 134.63 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.967 0.413 . . . . 0.0 111.565 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.95 21.45 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.603 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 20.1 t80 -63.98 142.31 58.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.025 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.9 tt -135.37 151.68 50.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.039 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.3 169.17 26.99 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.07 -23.95 26.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.711 0.291 . . . . 0.0 111.262 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -150.57 169.69 20.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 t -58.43 -38.25 77.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.797 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.74 -36.52 76.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.2 m -64.46 -33.48 75.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.264 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.772 ' O ' HG13 ' A' ' 61' ' ' ILE . 66.3 mt -72.42 -48.08 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.874 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 55' ' ' ALA . 4.8 m -55.61 -34.76 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.055 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.562 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.22 -44.22 72.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.897 178.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 6.8 t60 -70.19 -44.08 69.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.049 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.772 HG13 ' O ' ' A' ' 57' ' ' ILE . 2.8 mt -57.81 -44.06 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.146 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.88 -36.26 82.92 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.78 -179.736 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.52 -44.46 19.06 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 14.7 mm-40 -93.81 -18.31 22.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.135 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.656 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 84.5 m-70 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.763 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.7 t -57.84 125.15 21.81 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -99.58 26.52 6.07 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.519 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 7.7 m0 -82.95 131.66 35.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -63.28 -35.34 80.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.544 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.07 -7.87 57.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.743 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 33.6 t -109.38 122.35 39.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 51.1 Cg_endo -100.59 12.59 0.5 Allowed 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.422 2.748 . . . . 0.0 112.486 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.47 143.38 27.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.108 0.48 . . . . 0.0 111.896 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 p -118.47 163.43 16.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.353 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.62 149.93 29.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.901 0.382 . . . . 0.0 111.242 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -81.62 -25.52 35.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.368 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -141.73 168.06 20.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp -54.22 -44.06 71.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.178 0.513 . . . . 0.0 110.453 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -65.13 -33.53 76.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.237 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 5.4 m-20 -58.22 -45.14 88.23 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 23' ' ' HIS . 53.2 tp -73.25 -39.75 65.2 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.346 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -48.63 78.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.005 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -72.93 -32.81 65.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.597 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.425 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.9 t60 -69.41 -47.67 63.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.745 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.652 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -69.47 -41.05 76.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.37 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.59 -46.45 75.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.671 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -79.91 -42.03 24.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 31.6 t0 -83.77 -45.78 12.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.652 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 98.9 m-70 . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.981 0.42 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -99.56 152.19 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.051 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 4.5 t -60.55 142.59 55.2 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.625 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.427 ' HB2' ' CZ2' ' A' ' 7' ' ' TRP . 1.3 m-80 -108.82 39.12 2.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.097 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.429 ' CZ3' HG21 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.34 148.28 22.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.336 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -53.97 28.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.35 -26.02 13.75 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.8 t -63.97 140.15 58.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.153 0.501 . . . . 0.0 111.913 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -118.99 25.96 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.33 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.579 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 36.0 t80 -63.91 142.57 58.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.144 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -133.83 140.88 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.05 169.03 23.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.422 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.2 -32.09 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -139.05 168.39 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.986 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -33.7 71.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.426 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -66.78 -36.86 83.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.7 m -62.52 -33.47 74.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.686 ' O ' HG13 ' A' ' 61' ' ' ILE . 80.1 mt -71.63 -47.16 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.582 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.559 HG21 ' N ' ' A' ' 59' ' ' ASN . 3.2 m -55.15 -34.36 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.956 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.574 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.54 -42.48 74.55 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.601 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.577 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 13.4 t60 -70.34 -44.05 68.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.003 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.686 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -57.89 -44.67 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.91 -37.48 86.19 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.033 -179.418 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.495 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.6 -44.62 18.64 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.511 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 13.8 mm-40 -94.02 -17.86 22.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.249 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.578 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.7 m-70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.992 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.226 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 8.6 t -59.26 125.63 24.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -89.87 18.25 5.87 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -178.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.433 ' CD1' ' CZ2' ' A' ' 44' ' ' TRP . 11.6 m95 -83.19 131.5 35.11 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.215 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -41.5 82.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.796 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -85.19 7.54 21.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.88 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.6 t -109.44 122.53 39.2 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.659 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -101.18 21.38 0.2 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.536 2.824 . . . . 0.0 112.624 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -112.45 143.4 43.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.068 0.461 . . . . 0.0 111.933 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.4 p -117.13 163.45 16.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.547 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.65 156.05 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.279 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -93.01 -28.94 16.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.356 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -141.47 160.99 38.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.9 tp -50.68 -32.48 19.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.112 0.482 . . . . 0.0 110.336 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.11 -34.11 72.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.825 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.91 -45.31 90.61 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 1.2 tp -61.15 -44.73 96.87 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.812 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.452 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 10.6 tt0 -57.7 -48.38 79.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.104 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.4 ttp-105 -72.15 -36.81 69.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 t60 -69.25 -47.4 64.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.171 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.629 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -69.16 -44.03 73.08 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.158 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.403 ' CD2' ' C ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.12 -46.0 79.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.93 -178.659 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -79.51 -41.79 26.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 13.9 t0 -83.96 -45.38 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.629 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.4 m-70 . . . . . 0 C--N 1.327 -0.403 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.894 0.378 . . . . 0.0 110.756 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -126.76 151.97 47.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.956 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 2.5 t -60.46 142.7 54.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.627 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.2 35.77 3.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.499 ' CH2' ' CG ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.44 148.1 22.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.359 . . . . 0.0 110.284 178.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -44.79 91.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.22 -26.17 13.74 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 12.6 t -74.71 138.11 42.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.14 0.495 . . . . 0.0 111.86 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.95 27.29 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.14 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 37.1 t80 -64.01 142.83 58.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.343 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 2.5 tp -140.17 138.53 35.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.813 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.24 169.08 21.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.603 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.34 -32.02 22.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.669 0.271 . . . . 0.0 110.991 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -137.46 168.99 18.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.9 p -60.27 -39.32 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.419 ' HA ' HG23 ' A' ' 58' ' ' VAL . . . -62.0 -36.95 83.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -33.7 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.685 ' O ' HG13 ' A' ' 61' ' ' ILE . 58.8 mt -71.93 -47.02 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.606 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.547 HG22 ' N ' ' A' ' 59' ' ' ASN . 3.7 m -55.11 -34.74 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.547 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.1 t30 -69.62 -42.3 74.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.581 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 18.0 t60 -70.22 -44.8 67.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.24 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.685 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.9 mt -57.88 -44.93 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.952 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.81 -37.72 87.02 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.02 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.504 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.29 -45.19 18.31 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.31 -16.43 23.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.066 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.603 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.9 m-70 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 50.3 t -59.15 124.98 21.75 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -106.85 35.66 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.468 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 5.5 m95 -78.98 131.72 36.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -44.25 77.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.719 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.34 4.7 41.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 7.5 t -109.33 122.34 39.88 Favored Pre-proline 0 C--N 1.331 -0.216 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.868 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.4 Cg_endo -102.15 31.8 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.595 2.863 . . . . 0.0 112.404 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -134.88 143.55 47.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.034 0.445 . . . . 0.0 111.691 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -122.93 163.9 19.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.464 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . . . -109.51 156.1 20.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.344 . . . . 0.0 110.792 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.2 -12.74 27.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -141.38 163.25 33.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.518 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 HD11 ' HB2' ' A' ' 62' ' ' ASN . 9.7 tp -56.66 -39.73 74.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.237 0.542 . . . . 0.0 110.489 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -70.46 -34.5 72.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.529 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 1.2 m-20 -59.27 -45.31 91.57 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.481 HD21 HD12 ' A' ' 24' ' ' LEU . 3.1 tt -69.69 -39.95 76.63 Favored 'General case' 0 CA--C 1.523 -0.061 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.3 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -57.9 -48.63 79.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.789 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -33.97 67.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.513 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.433 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 3.8 t60 -69.03 -47.74 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.652 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -69.3 -41.05 77.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.527 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -66.58 -46.28 76.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.668 -179.259 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -79.33 -41.5 27.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 33.0 t0 -83.81 -45.62 13.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.652 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.5 m-70 . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' CD2' ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 121.074 0.464 . . . . 0.0 110.49 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -103.72 152.72 21.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.01 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.461 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.7 t -60.23 142.44 54.51 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.468 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.5 m-80 -107.79 37.77 2.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.765 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.4 148.31 22.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.167 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.91 -55.49 14.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.25 -25.29 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.9 t -63.85 139.96 58.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 0.0 111.837 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -119.65 24.62 10.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.378 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 21.3 t80 -63.77 142.87 58.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.005 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.444 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 2.6 tt -134.1 147.2 50.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.055 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -141.55 169.09 25.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.43 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -91.75 -32.13 15.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 111.076 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.6 166.4 23.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -59.64 -33.54 71.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -67.09 -36.66 82.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.5 m -60.56 -33.44 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.627 ' O ' HG13 ' A' ' 61' ' ' ILE . 58.8 mt -72.21 -47.63 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 55' ' ' ALA . 10.2 m -55.8 -34.7 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.75 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.567 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -68.4 -40.3 81.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.564 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 15.4 t60 -70.71 -44.55 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.857 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.5 mt -57.83 -45.01 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.43 -38.79 90.95 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.209 -179.083 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.5 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.6 -45.25 17.62 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.5 -18.23 21.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.559 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 94.3 m-70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.117 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.1 t -58.25 125.04 21.54 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 6.75 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.439 ' CH2' ' HB3' ' A' ' 28' ' ' HIS . 12.9 m95 -74.94 131.61 40.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -33.54 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.735 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -87.14 2.94 48.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.515 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -109.52 122.7 38.64 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -98.98 20.19 0.33 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.336 2.691 . . . . 0.0 112.646 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 143.42 34.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 0.0 111.803 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 p -117.45 163.21 16.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.714 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.414 ' HB1' HD21 ' A' ' 20' ' ' LEU . . . -112.46 156.32 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.392 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.48 -29.69 15.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.9 m -141.76 161.66 37.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.626 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 tp -50.78 -31.6 17.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.088 0.471 . . . . 0.0 110.358 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -70.2 -34.6 73.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.623 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 1.3 m-20 -59.21 -45.33 91.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.708 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -64.52 -45.74 85.88 Favored 'General case' 0 N--CA 1.458 -0.044 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.665 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 4.8 tt0 -57.93 -48.13 80.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.721 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -72.02 -35.86 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.482 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 5.2 t60 -69.22 -47.71 64.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.653 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -67.55 -41.6 84.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.241 -179.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.34 -46.42 76.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.483 -179.31 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -79.23 -40.81 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.944 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 13.0 t0 -84.06 -45.96 12.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.653 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 95.0 m-70 . . . . . 0 C--N 1.328 -0.332 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.874 0.369 . . . . 0.0 110.815 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -117.98 152.04 36.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.639 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.4 t -60.52 142.47 55.25 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.53 35.92 3.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.498 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.6 148.25 22.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.503 178.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.7 -45.5 91.92 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -101.09 -26.19 13.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.5 t -73.13 140.05 46.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.058 0.456 . . . . 0.0 111.829 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.0 25.87 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.166 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.592 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 46.8 t80 -63.91 142.72 58.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.31 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -140.4 138.92 35.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.701 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.13 169.14 21.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.656 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -85.61 -31.47 22.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.775 0.321 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.61 173.93 11.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.993 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 p -64.54 -37.64 88.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.783 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.86 -36.93 84.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 p -60.47 -33.63 72.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.67 ' O ' HG13 ' A' ' 61' ' ' ILE . 77.9 mt -71.6 -46.17 63.98 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.563 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG23 ' N ' ' A' ' 59' ' ' ASN . 3.6 m -55.27 -34.62 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.569 ' N ' HG23 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -69.99 -41.76 73.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.272 0.558 . . . . 0.0 109.538 178.396 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.592 ' CD2' ' CD2' ' A' ' 49' ' ' PHE . 23.8 t60 -70.2 -45.08 67.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.244 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.67 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -58.3 -45.01 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.55 -38.78 90.58 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.986 -179.485 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.502 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.47 -45.38 17.65 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.51 -17.56 22.29 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 92.8 m-70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' CA ' HD22 ' A' ' 20' ' ' LEU . 24.3 t -58.7 125.34 23.05 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.24 22.36 6.89 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.427 ' CH2' ' HB3' ' A' ' 28' ' ' HIS . 10.7 m95 -83.15 131.62 35.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.359 . . . . 0.0 110.213 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.2 -44.17 89.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.8 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.21 0.84 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.797 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 28.1 t -109.42 122.27 39.99 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -101.06 20.73 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.531 2.82 . . . . 0.0 112.558 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.06 143.42 43.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.066 0.46 . . . . 0.0 111.782 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -121.48 163.48 18.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.584 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.53 156.15 21.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 111.187 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.23 -14.8 23.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.649 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 t -141.47 151.1 43.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 tp -51.05 -35.81 36.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.124 0.488 . . . . 0.0 110.431 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -70.18 -33.82 72.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.243 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.57 -44.24 89.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.529 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.58 -40.57 83.54 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.626 179.696 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' HG3' ' HB ' ' A' ' 58' ' ' VAL . 3.7 tt0 -59.95 -48.74 80.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.222 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -69.28 -38.66 78.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.002 0.43 . . . . 0.0 110.583 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.8 t60 -69.31 -47.27 64.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.599 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -69.35 -42.68 74.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.211 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.443 ' CD1' ' CG1' ' A' ' 58' ' ' VAL . 9.0 tp -66.49 -45.4 79.75 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.975 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -78.6 -41.56 31.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 7.6 t0 -83.8 -45.42 13.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.599 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.9 m-70 . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 2.1 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.864 0.364 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -126.58 152.0 47.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.104 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -60.9 142.72 56.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.67 179.513 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -107.91 36.33 2.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.879 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.3 148.07 22.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.203 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -44.37 91.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -101.22 -26.06 13.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.96 139.85 45.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 0.0 112.039 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -120.36 25.05 10.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.052 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 17.7 t80 -63.91 142.57 58.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.291 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 10.1 tp -137.18 136.24 38.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.744 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.93 169.04 21.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.17 -32.12 61.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.303 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -149.01 171.98 15.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.3 t -57.08 -48.92 77.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.487 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -55.22 -37.0 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.911 0.386 . . . . 0.0 110.668 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -63.17 -33.36 75.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.912 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.616 ' O ' HG13 ' A' ' 61' ' ' ILE . 58.0 mt -71.23 -44.7 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.071 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.549 HG21 ' N ' ' A' ' 59' ' ' ASN . 2.3 m -55.2 -34.36 32.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.59 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.549 ' N ' HG21 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -67.69 -41.64 83.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.449 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.559 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 8.6 t60 -70.45 -43.01 70.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.753 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.7 mt -57.45 -45.55 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.825 -179.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.87 -36.65 84.01 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.054 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.17 -45.49 18.01 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.8 -17.86 21.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.615 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.8 m-70 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.827 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.129 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . 1.7 t -58.85 125.18 22.48 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.432 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 11.3 tttp -90.08 11.88 19.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 15.9 m95 -73.01 131.74 42.52 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.221 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -38.28 87.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.205 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -87.23 6.09 34.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.935 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 15.2 t -109.24 122.05 40.82 Favored Pre-proline 0 CA--C 1.53 0.205 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.621 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 45.9 Cg_endo -101.65 11.87 0.43 Allowed 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.542 2.828 . . . . 0.0 112.575 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -103.6 143.32 32.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.015 0.436 . . . . 0.0 111.872 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.1 m -115.75 163.11 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.538 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.39 156.2 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.284 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.28 -23.72 18.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.221 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -141.15 159.14 42.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.773 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tp -50.53 -39.47 49.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.2 0.524 . . . . 0.0 110.612 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -33.8 76.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.987 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.517 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 1.1 m-20 -58.49 -46.09 87.39 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.668 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -74.05 -39.24 63.63 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.404 178.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -57.08 -48.67 78.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.74 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -72.98 -43.11 62.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.517 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.3 t60 -58.83 -40.56 84.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.444 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.642 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -64.61 -44.71 89.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.43 ' CD1' ' HB ' ' A' ' 58' ' ' VAL . 1.9 mp -66.39 -44.51 82.87 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.506 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -78.65 -41.37 31.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 12.1 t70 -83.1 -45.34 14.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.642 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 95.6 m-70 . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.041 0.448 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -84.93 152.11 23.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.027 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 1.2 t -60.42 142.34 55.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.449 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 m-80 -109.61 35.97 3.14 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.092 -0.503 . . . . 0.0 112.013 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.465 ' CZ3' HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -94.52 148.35 22.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.061 0.458 . . . . 0.0 110.735 179.194 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -52.62 -51.87 58.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.76 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.23 -15.7 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.5 t -77.93 135.26 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.112 0.482 . . . . 0.0 111.937 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -113.37 16.74 18.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.298 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 12.2 t80 -63.86 143.11 58.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -137.32 139.4 40.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.02 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.07 156.4 21.19 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.391 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.7 -32.28 60.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.301 . . . . 0.0 111.576 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.37 154.53 50.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.411 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 18.8 p -53.39 -38.99 63.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.421 ' HA ' HG11 ' A' ' 58' ' ' VAL . . . -67.91 -35.39 78.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.354 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 m -71.99 -45.36 61.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.511 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -64.22 -48.05 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.119 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.445 ' HA ' HG13 ' A' ' 61' ' ' ILE . 10.9 p -55.58 -34.87 36.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.051 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -58.21 -39.61 79.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 3.2 t60 -70.89 -41.86 70.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.582 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.653 ' HA ' ' HD2' ' A' ' 65' ' ' HIS . 4.0 mt -57.91 -44.18 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.227 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.491 ' ND2' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -65.94 -36.78 84.29 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.976 -179.679 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.491 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -79.57 -43.72 22.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.982 0.42 . . . . 0.0 112.015 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.486 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 38.0 mm-40 -93.39 -12.64 29.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.957 -178.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.653 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 61.5 m-70 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.676 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.8 t -59.76 125.45 23.71 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 0.53 27.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.453 ' CZ2' HD22 ' A' ' 24' ' ' LEU . 13.2 m95 -72.9 131.75 42.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.763 0.316 . . . . 0.0 110.25 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -76.61 -35.12 58.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.426 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.03 9.88 18.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.567 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.4 t -109.34 122.87 38.3 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.603 0.239 . . . . 0.0 111.274 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -98.47 24.49 0.22 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.316 2.677 . . . . 0.0 112.612 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -121.92 143.28 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 111.599 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -114.72 163.34 15.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.887 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . . . -110.72 157.64 19.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.9 m -91.6 -33.43 15.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.29 170.47 15.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.968 0.413 . . . . 0.0 111.758 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.8 tp -50.77 -43.15 58.38 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -67.41 -35.42 79.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.613 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 8.5 t0 -60.9 -45.6 93.96 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.119 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.81 -39.87 95.62 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.777 178.666 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.02 -48.27 71.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.214 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -42.3 71.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 4.0 t60 -59.33 -47.14 86.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.658 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -69.17 -41.84 76.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.454 -179.703 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.18 -46.32 77.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.43 -179.157 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -80.0 -41.75 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 5.2 t70 -84.08 -46.38 12.03 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.658 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 98.1 m-70 . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' HG ' HD11 ' A' ' 57' ' ' ILE . 1.5 pt? . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.25 0.548 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.0 154.34 21.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.158 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HB2' ' HD1' ' A' ' 49' ' ' PHE . 1.8 t -58.9 142.36 50.95 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -106.86 38.48 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.515 ' CH2' ' CG ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.53 148.14 22.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.831 0.348 . . . . 0.0 110.173 178.669 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.7 -44.88 86.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.49 -26.04 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 7.3 t -72.23 133.97 45.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.183 0.516 . . . . 0.0 112.257 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -114.51 22.82 13.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.607 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 25.4 t80 -64.02 142.47 58.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.466 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 tp -136.78 143.45 43.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.526 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.04 162.98 23.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.684 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -81.08 -32.05 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -135.35 165.93 24.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.7 -39.44 77.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.18 -36.23 81.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.338 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.4 m -57.37 -33.98 68.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.73 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.662 ' O ' HG13 ' A' ' 61' ' ' ILE . 19.0 mt -72.48 -47.58 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.594 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.8 m -55.84 -34.72 37.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.737 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.565 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -66.32 -42.22 88.54 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.489 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 5.9 t60 -70.51 -41.06 73.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.651 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.8 mt -58.6 -44.83 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.977 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.565 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.83 -36.9 84.75 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.004 -179.363 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.78 -44.65 18.23 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.486 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 42.1 mm-40 -94.0 -19.26 21.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.274 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.607 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 89.1 m-70 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.251 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.431 ' HB2' HD22 ' A' ' 20' ' ' LEU . 3.7 t -59.28 125.46 23.71 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -94.36 22.5 5.99 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CZ2' HD21 ' A' ' 24' ' ' LEU . 13.5 m95 -83.08 131.67 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 110.128 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -39.87 91.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.536 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.05 6.14 34.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.875 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 15.6 t -109.43 122.13 40.39 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.655 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.9 Cg_endo -102.39 17.49 0.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.616 2.878 . . . . 0.0 112.728 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -111.69 143.5 42.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.027 0.441 . . . . 0.0 111.855 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -112.4 163.34 14.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.728 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.416 ' HB1' HD21 ' A' ' 20' ' ' LEU . . . -110.91 156.34 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.354 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 t -94.88 -25.92 16.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.427 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -141.33 159.56 41.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.7 tp -50.52 -44.19 56.12 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.157 0.503 . . . . 0.0 110.294 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -61.93 -33.65 74.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.213 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.523 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 23.4 t0 -58.5 -45.37 88.89 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.293 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.41 -45.44 76.14 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.095 178.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -47.46 82.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.799 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -72.08 -38.05 69.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 2.7 t60 -68.97 -47.41 65.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.7 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -66.6 -42.92 86.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.919 0.39 . . . . 0.0 111.71 -179.381 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.405 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.29 -46.1 78.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.423 -179.282 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -79.7 -41.66 26.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 18.1 t0 -83.44 -45.52 13.55 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -177.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.7 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.7 m-70 . . . . . 0 C--N 1.327 -0.389 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.011 0.434 . . . . 0.0 110.784 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -114.6 152.64 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.848 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.9 t -60.12 142.51 54.1 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.67 36.13 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.426 ' CH2' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.49 148.1 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.898 0.38 . . . . 0.0 110.311 178.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -45.99 83.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -101.21 -26.06 13.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.4 t -72.72 135.82 45.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.067 0.46 . . . . 0.0 111.923 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -113.61 25.86 10.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.062 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.563 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 42.4 t80 -63.95 142.45 58.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.294 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -138.53 140.47 39.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.855 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.51 169.29 23.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.555 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.81 -32.09 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.313 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -142.22 171.8 13.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.408 ' CG2' ' CD1' ' A' ' 40' ' ' LEU . 40.2 p -60.01 -38.89 83.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -60.64 -36.8 79.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.002 0.43 . . . . 0.0 111.07 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -63.71 -33.5 75.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.208 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.736 ' O ' HG13 ' A' ' 61' ' ' ILE . 80.8 mt -72.32 -47.63 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 55' ' ' ALA . 6.3 m -55.31 -34.58 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.538 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.35 -44.35 71.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.766 178.738 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.563 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 10.6 t60 -70.11 -44.49 68.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.058 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.736 HG13 ' O ' ' A' ' 57' ' ' ILE . 2.7 mt -57.79 -44.81 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.044 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.91 -36.52 83.62 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.015 -179.547 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.506 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.88 -44.5 18.25 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.486 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 45.2 mm-40 -93.96 -17.99 22.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.191 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.2 m-70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.803 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.177 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.571 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 6.3 t -59.08 125.3 23.04 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 21.63 7.86 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CH2' ' HB3' ' A' ' 28' ' ' HIS . 14.6 m95 -80.69 131.83 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -65.03 -40.13 94.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.609 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -87.13 6.54 32.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 17.6 t -109.4 122.38 39.68 Favored Pre-proline 0 CA--C 1.53 0.174 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.666 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.9 Cg_endo -101.82 20.41 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.541 2.827 . . . . 0.0 112.559 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -116.18 143.38 45.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.066 0.46 . . . . 0.0 111.744 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.0 p -114.26 163.43 15.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.548 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 19' ' ' ASP . . . -110.57 156.1 21.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -94.73 -23.83 17.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.68 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -141.49 157.98 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.64 0.257 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 tp -50.58 -44.08 56.72 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.175 0.512 . . . . 0.0 110.072 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.43 -33.92 76.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.963 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 6.6 t70 -58.72 -45.34 89.81 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.994 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.571 ' CD1' ' HA ' ' A' ' 5' ' ' CYS . 4.2 tp -63.37 -46.08 88.16 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 120.124 -0.63 . . . . 0.0 109.727 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -57.88 -45.57 86.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.86 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -72.09 -38.78 69.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.664 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.5 t60 -69.19 -47.54 64.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.705 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -66.29 -43.82 85.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.841 0.353 . . . . 0.0 111.559 -179.362 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.41 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.31 -45.93 78.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.453 -179.242 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -79.18 -41.42 28.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 29.9 t0 -83.3 -45.74 13.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.705 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.5 m-70 . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.125 0.488 . . . . 0.0 110.452 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -102.8 152.35 21.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.981 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.578 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 4.2 t -60.56 142.46 55.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.501 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.403 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -108.5 39.11 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.437 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.5 148.19 22.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.935 0.397 . . . . 0.0 110.386 178.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -52.32 42.91 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -101.27 -26.13 13.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.8 t -66.49 138.94 57.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.122 0.487 . . . . 0.0 111.85 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.75 27.11 8.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.139 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 26.9 t80 -63.83 142.57 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.278 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -133.36 144.95 49.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.797 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.42 169.09 24.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.574 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -83.41 -32.0 26.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -144.27 179.15 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 m -65.77 -41.35 92.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.507 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -59.52 -36.86 76.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.977 0.418 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -63.17 -33.31 75.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.216 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.676 ' O ' HG13 ' A' ' 61' ' ' ILE . 57.5 mt -71.95 -47.32 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.72 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.507 HG21 ' O ' ' A' ' 55' ' ' ALA . 4.0 m -55.52 -34.25 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.629 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.539 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -68.86 -41.77 77.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.505 178.568 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.55 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 8.0 t60 -70.25 -44.76 67.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.856 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.676 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.5 mt -57.75 -44.1 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.58 -37.36 86.43 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.946 -179.412 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.504 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.41 -44.31 19.53 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 15.9 mm-40 -93.8 -17.27 23.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.24 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.613 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.5 m-70 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.463 0.184 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HB2' HD22 ' A' ' 20' ' ' LEU . 2.3 t -59.0 125.85 25.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 15.73 5.37 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.423 ' CE2' HD21 ' A' ' 24' ' ' LEU . 15.3 m95 -82.7 131.67 35.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 110.289 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -37.95 80.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.585 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -87.32 9.97 18.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.765 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 t -109.37 122.17 40.35 Favored Pre-proline 0 C--N 1.331 -0.211 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.544 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -101.96 15.23 0.33 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.56 2.84 . . . . 0.0 112.807 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -110.75 143.44 41.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.054 0.454 . . . . 0.0 111.933 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.5 p -116.09 163.14 16.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.652 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.49 156.36 21.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.398 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.7 p -92.7 -22.93 19.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.262 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -141.28 157.54 45.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -50.94 -37.41 44.13 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.028 0.442 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -68.51 -34.47 75.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.219 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 7.3 m-20 -59.21 -45.08 92.04 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD22 ' HB2' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -63.5 -44.32 94.68 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 120.139 -0.625 . . . . 0.0 110.594 179.554 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.494 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 3.8 tt0 -57.98 -49.73 75.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -68.21 -46.38 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.444 -179.498 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -59.06 -34.74 72.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.603 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -70.0 -49.36 52.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.759 -179.596 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -62.46 -44.76 95.63 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.803 -179.034 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -79.37 -42.01 26.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 t70 -84.09 -41.6 16.97 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -177.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.603 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 95.5 m-70 . . . . . 0 C--N 1.329 -0.292 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.792 0.33 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -117.36 151.95 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.536 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.0 t -60.77 142.55 55.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.587 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -109.44 38.25 2.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.41 148.24 22.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.861 0.363 . . . . 0.0 110.267 178.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.29 -50.15 67.97 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -101.33 -26.19 13.7 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 12.7 t -70.12 138.65 52.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.084 0.469 . . . . 0.0 111.93 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -117.16 27.82 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.035 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.612 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 41.0 t80 -63.94 142.77 58.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.314 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.2 tt -140.18 136.98 34.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.786 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.87 168.88 21.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.71 -28.98 30.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -141.04 169.82 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -46.24 88.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.472 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.4 -36.96 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -59.82 -33.52 71.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.644 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.635 ' O ' HG13 ' A' ' 61' ' ' ILE . 34.3 mt -71.45 -42.97 73.05 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.534 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.529 HG22 ' N ' ' A' ' 59' ' ' ASN . 1.7 m -55.5 -34.41 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.113 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.3 -41.01 77.34 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.245 178.294 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.612 ' CD2' ' CD2' ' A' ' 49' ' ' PHE . 17.4 t60 -70.18 -43.61 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.801 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.635 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -57.64 -45.61 86.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.88 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.77 -37.6 86.76 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.096 -179.449 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.37 -45.5 17.64 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.78 -16.2 23.19 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.556 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 90.6 m-70 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.18 125.16 22.03 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -100.39 28.69 4.83 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.434 ' CZ2' ' HB3' ' A' ' 28' ' ' HIS . 7.9 m95 -82.24 131.63 35.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -64.69 -40.67 95.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.595 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -86.98 5.66 36.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.699 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 36.0 t -109.67 122.58 38.84 Favored Pre-proline 0 C--N 1.332 -0.187 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -101.26 34.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.49 2.794 . . . . 0.0 112.423 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.92 143.45 48.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.104 0.478 . . . . 0.0 111.882 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 p -115.06 163.94 14.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.558 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 19' ' ' ASP . . . -110.14 156.34 20.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.35 -26.65 18.81 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.55 165.16 28.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 111.408 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 tp -52.83 -36.79 59.21 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 121.255 0.55 . . . . 0.0 110.264 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -70.74 -34.71 72.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.09 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 43.2 t0 -59.44 -45.46 91.5 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -67.87 -42.43 81.3 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.312 179.298 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 7.3 tt0 -57.99 -48.41 80.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -39.52 77.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.438 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.6 t60 -69.33 -47.19 65.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.63 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.6 OUTLIER -69.3 -43.83 73.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.265 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.428 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.15 -46.0 79.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.74 0.305 . . . . 0.0 111.726 -178.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -79.09 -41.95 27.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 5.2 t70 -84.15 -45.44 12.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.63 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.2 m-70 . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.015 0.436 . . . . 0.0 110.71 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -108.81 152.86 24.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.891 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.602 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 3.5 t -60.05 142.49 53.95 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.772 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.404 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -112.35 40.86 2.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.125 -178.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.423 ' CZ3' HG21 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.31 148.19 22.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.368 179.124 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -50.94 58.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.23 -26.14 13.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 t -68.76 136.81 53.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.129 0.49 . . . . 0.0 111.819 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.69 25.08 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.146 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.602 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 33.2 t80 -63.9 142.32 58.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.182 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -133.49 141.27 47.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.908 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.8 169.12 22.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.396 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -93.29 -31.99 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -134.7 169.13 17.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.404 ' HA ' HD21 ' A' ' 40' ' ' LEU . 42.3 p -60.82 -36.93 80.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.534 ' HA ' HG22 ' A' ' 58' ' ' VAL . . . -67.06 -36.29 81.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.313 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -33.73 72.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.721 ' O ' HG13 ' A' ' 61' ' ' ILE . 34.4 mt -72.45 -48.73 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 55' ' ' ALA . 35.7 m -55.82 -34.64 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.586 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -66.32 -41.71 89.26 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.374 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 7.4 t60 -70.76 -44.02 67.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.798 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.721 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.7 mt -61.2 -43.56 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.94 -38.48 88.74 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.858 -179.619 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.491 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.39 -44.86 18.68 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -19.45 20.76 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.613 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 95.6 m-70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.707 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.0 tttt . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.5 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 2.0 t -59.23 125.25 22.86 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 7.08 29.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CZ2' HD21 ' A' ' 24' ' ' LEU . 15.1 m95 -73.05 131.52 42.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.137 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -70.21 -36.85 74.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.353 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -87.08 7.56 27.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.602 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.1 t -109.34 122.4 39.7 Favored Pre-proline 0 C--N 1.331 -0.203 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.538 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -100.83 18.06 0.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.531 2.821 . . . . 0.0 112.595 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.65 143.3 41.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.063 0.458 . . . . 0.0 111.8 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -113.42 163.47 14.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.659 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.403 ' CB ' ' HB3' ' A' ' 19' ' ' ASP . . . -110.61 156.17 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.077 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.8 p -95.87 -28.13 14.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.593 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -141.43 160.01 41.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.305 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.5 tp -50.74 -35.73 32.96 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.191 0.52 . . . . 0.0 110.304 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -70.27 -33.85 72.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.302 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 9.0 t70 -58.9 -44.81 91.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.716 -178.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 1.1 tp -58.82 -46.55 87.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.421 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 8.1 tt0 -60.08 -48.93 79.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.332 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.467 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.37 -46.18 89.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.037 0.446 . . . . 0.0 110.947 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.462 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.3 t60 -69.96 -45.5 67.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.249 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.727 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.6 OUTLIER -69.71 -47.72 62.12 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.508 ' CD2' ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -65.41 -44.51 87.17 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -177.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.508 ' HG2' ' CD2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -79.1 -41.15 29.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 6.2 t0 -83.07 -42.01 17.95 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -176.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.727 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 92.9 m-70 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.857 0.36 . . . . 0.0 110.713 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -112.78 151.84 29.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.735 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -61.14 142.75 56.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.922 179.743 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -106.3 35.03 3.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.539 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.476 ' CH2' ' CG ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.36 148.54 22.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.752 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -54.99 -50.75 68.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.341 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -101.34 -26.27 13.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.9 t -67.58 134.41 51.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.076 0.465 . . . . 0.0 111.732 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -114.32 24.81 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.202 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 15.0 t80 -63.94 142.19 58.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.211 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 33.5 tp -139.7 143.82 37.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.78 169.06 23.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.415 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.24 -28.87 47.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.717 0.294 . . . . 0.0 111.264 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.19 178.29 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 p -60.57 -31.01 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -64.44 -36.4 84.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.06 -33.75 76.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.485 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.751 ' O ' HG13 ' A' ' 61' ' ' ILE . 81.1 mt -72.64 -48.32 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 55' ' ' ALA . 10.1 m -55.95 -37.5 48.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.984 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.2 t30 -69.95 -43.74 70.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.545 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 13.1 t60 -70.09 -47.3 62.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.621 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.751 HG13 ' O ' ' A' ' 57' ' ' ILE . 3.2 mt -57.7 -43.06 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.54 -37.84 87.88 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.668 -179.72 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.78 -44.3 18.79 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.453 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 14.3 mm-40 -93.57 -15.79 25.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.137 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.634 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 86.9 m-70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.79 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.877 0.37 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.556 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -99.59 133.29 44.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.383 0.611 . . . . 0.0 111.112 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -110.65 112.84 24.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.209 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.479 ' N ' HD22 ' A' ' 20' ' ' LEU . 5.6 t -59.28 125.28 22.96 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.04 23.77 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.461 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 9.5 m95 -83.12 131.7 35.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.808 0.337 . . . . 0.0 110.302 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -40.23 94.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.558 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -87.07 4.66 41.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.953 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 22.7 t -109.38 122.09 40.58 Favored Pre-proline 0 C--N 1.332 -0.185 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.673 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.7 Cg_endo -102.08 19.15 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.588 2.858 . . . . 0.0 112.511 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -112.14 143.39 43.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.099 0.476 . . . . 0.0 111.823 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.8 p -114.18 163.54 15.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.625 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 19' ' ' ASP . . . -110.63 156.03 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -92.27 -25.46 18.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.467 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.46 157.44 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.696 0.284 . . . . 0.0 111.058 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 9.0 tp -50.45 -36.0 31.33 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.243 0.544 . . . . 0.0 110.073 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.32 -33.62 71.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.716 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 17.1 t0 -58.43 -44.9 89.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.186 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -68.65 -39.39 80.73 Favored 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.877 179.583 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.54 -48.26 79.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.591 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -72.29 -35.39 68.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.557 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.5 t60 -69.12 -47.56 64.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.663 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -69.3 -42.4 75.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.876 0.37 . . . . 0.0 111.599 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -66.31 -46.6 76.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.676 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -80.08 -41.81 24.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 15.9 t70 -83.76 -45.2 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -176.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.663 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.7 m-70 -90.09 -0.68 57.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 28' ' ' HIS . 3.9 m -161.05 86.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.162 0.506 . . . . 0.0 111.638 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -56.77 -35.05 68.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.111 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.84 109.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.808 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.98 -31.69 63.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 63.54 19.63 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.238 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.82 24.6 10.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.729 0.299 . . . . 0.0 111.159 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -96.11 128.54 36.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.24 -46.58 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.449 2.099 . . . . 0.0 112.229 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mtt -155.17 70.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -135.64 88.47 23.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.88 151.79 39.19 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.506 2.138 . . . . 0.0 112.099 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -92.11 149.06 21.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -127.21 152.74 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.624 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -60.08 142.45 54.09 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.461 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.5 m-80 -107.55 35.11 3.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.262 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.441 ' CZ3' HG21 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.45 148.22 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.444 179.008 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -57.52 -46.65 83.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -101.05 -20.3 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.07 138.44 38.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.175 0.512 . . . . 0.0 112.02 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.63 22.67 12.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.097 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 23.0 t80 -63.89 142.39 58.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.046 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 3.8 tp -139.43 143.11 37.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.95 169.0 24.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.82 -32.04 31.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.22 166.53 24.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.9 t -60.17 -33.9 72.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.521 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -64.2 -36.87 85.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.0 m -63.78 -33.64 76.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.673 ' O ' HG13 ' A' ' 61' ' ' ILE . 42.4 mt -72.53 -47.73 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.832 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 55' ' ' ALA . 3.1 m -55.29 -34.64 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.625 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.552 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -68.92 -41.23 78.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.521 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 7.5 t60 -70.48 -43.92 68.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.913 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.673 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -57.77 -44.38 85.87 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.78 -37.08 85.35 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.089 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.59 -44.34 19.13 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 71.0 mm-40 -93.82 -18.8 21.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.21 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.2 m-70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.751 0.31 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -85.72 137.16 33.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.294 0.569 . . . . 0.0 110.851 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 112.51 24.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.535 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 5.4 t -59.75 125.86 25.31 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 10.52 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.429 ' CD1' ' CZ2' ' A' ' 44' ' ' TRP . 13.1 m95 -81.31 131.7 35.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.333 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -70.76 -39.89 72.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.665 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.08 12.21 11.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.6 t -109.4 122.63 38.95 Favored Pre-proline 0 CA--C 1.531 0.214 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.469 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 52.3 Cg_endo -99.74 18.58 0.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 123.385 2.723 . . . . 0.0 112.772 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -114.07 143.27 45.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.977 0.418 . . . . 0.0 111.58 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -115.15 162.99 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.894 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 3' ' ' LEU . . . -112.81 157.4 21.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -91.28 -34.07 15.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.8 t -141.17 170.38 15.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.863 0.363 . . . . 0.0 111.523 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.557 ' HA ' ' HG ' ' A' ' 3' ' ' LEU . 60.1 tp -50.35 -40.47 49.28 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.672 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -35.34 73.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.964 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.415 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 6.3 t70 -62.7 -45.26 93.56 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -63.33 -41.11 98.86 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.455 179.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.515 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 3.5 tt0 -66.12 -50.33 64.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -46.4 89.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.439 . . . . 0.0 110.513 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.2 t60 -62.22 -34.11 75.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.833 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.492 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -69.56 -48.7 59.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.848 -179.664 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -66.1 -44.83 83.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.627 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -78.71 -41.71 30.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 18.1 t0 -83.37 -43.6 15.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.492 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.4 m-70 -94.32 1.66 55.89 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 25' ' ' LEU . 3.1 m -161.76 84.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 121.311 0.577 . . . . 0.0 111.59 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.4 t -73.08 -28.79 62.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.306 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 62.96 112.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.763 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 1.5 t0 -79.17 -38.72 35.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 32' ' ' ASP . 25.3 m-85 -157.58 -160.81 0.97 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.627 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -116.43 125.46 52.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.776 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 38' ' ' GLU . 90.6 m-70 -81.75 125.76 77.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.53 -49.09 12.85 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.503 2.135 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -140.31 28.41 2.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.255 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 2.1 mt-10 -116.34 84.93 15.07 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.63 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.53 154.93 22.85 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.699 2.266 . . . . 0.0 112.765 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.453 ' CD1' ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -93.19 144.21 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.904 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -118.45 153.03 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.908 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.58 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 4.0 t -59.51 142.52 52.37 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -106.99 38.72 2.03 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.496 ' CZ3' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.55 148.29 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.934 0.397 . . . . 0.0 110.262 178.718 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -50.79 -52.3 42.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -101.31 -26.16 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.0 t -64.98 137.46 57.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.206 0.527 . . . . 0.0 112.048 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -117.02 25.21 10.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.035 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.58 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 40.0 t80 -63.79 142.8 58.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.259 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 2.2 tp -134.46 143.02 47.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.28 163.66 25.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.598 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.55 -30.24 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.702 0.286 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -133.77 166.5 22.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.43 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 2.8 p -57.33 -49.06 77.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.8 -36.12 71.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -57.45 -36.54 71.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.713 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.695 ' O ' HG13 ' A' ' 61' ' ' ILE . 78.8 mt -72.58 -47.77 49.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.647 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 m -55.86 -37.15 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.621 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -65.25 -42.56 93.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.545 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 9.2 t60 -70.17 -43.15 71.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.812 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.695 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -57.85 -44.17 85.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -65.64 -37.59 86.99 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.019 -179.45 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.65 -44.48 18.77 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.497 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 22.1 mm-40 -94.0 -15.56 24.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.205 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.614 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.0 m-70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.713 0.292 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -85.71 141.6 29.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.245 0.545 . . . . 0.0 110.888 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.78 112.68 24.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.118 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.32 125.27 22.93 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.53 0.84 28.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.405 ' CD1' ' CZ2' ' A' ' 44' ' ' TRP . 15.2 m95 -72.93 131.65 42.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.247 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -38.3 70.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.75 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -86.38 9.96 16.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.832 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -109.51 122.67 38.71 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 120.583 0.23 . . . . 0.0 111.447 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -99.5 13.48 0.58 Allowed 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.399 2.733 . . . . 0.0 112.792 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.66 143.3 34.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.95 0.405 . . . . 0.0 111.667 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 t -115.53 163.15 16.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.913 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 3' ' ' LEU . . . -111.72 156.85 21.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.068 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -89.38 -34.15 16.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.585 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 m -141.29 170.09 16.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.099 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.472 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 55.6 tp -50.62 -35.55 30.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.988 0.423 . . . . 0.0 110.776 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -70.28 -35.36 73.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.991 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -59.83 -45.58 91.94 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.501 -179.036 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -63.09 -46.19 88.55 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.004 178.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -43.34 98.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.23 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -70.79 -45.89 63.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.501 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.4 t60 -65.44 -47.08 77.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.051 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.716 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.8 OUTLIER -64.02 -41.76 97.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.226 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.557 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 1.4 tt -66.33 -46.52 76.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.889 0.376 . . . . 0.0 111.597 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -79.18 -40.72 30.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 10.5 t70 -83.38 -45.39 13.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.716 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.8 m-70 -91.24 5.61 48.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.554 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 92.2 t -131.75 95.5 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-O 121.547 0.689 . . . . 0.0 111.317 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 t -73.42 -21.6 60.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.196 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 62.8 103.57 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.615 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -66.66 -38.41 86.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.269 -179.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' ASP . 0.8 OUTLIER 80.22 -40.86 0.2 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.651 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -45.9 -27.95 1.0 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -69.68 120.44 77.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.915 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.75 -49.18 2.42 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.424 2.083 . . . . 0.0 112.264 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.19 30.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -77.61 135.7 64.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.787 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.76 147.35 61.47 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.315 2.01 . . . . 0.0 112.233 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 5.6 tp -91.85 129.57 37.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -102.97 151.37 22.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.278 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.584 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.2 t -61.4 142.81 56.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.852 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.33 37.67 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.478 ' CZ3' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.46 148.31 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.352 178.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -50.92 -53.62 31.23 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.41 -26.23 13.66 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.2 t -65.29 137.57 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.101 0.477 . . . . 0.0 111.82 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.29 28.11 8.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.08 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.586 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 28.2 t80 -63.84 142.83 58.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.329 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 15.8 tp -136.28 137.99 41.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.71 169.09 22.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.23 -30.4 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 111.117 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.12 -174.69 4.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.047 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.4 p -66.02 -40.62 91.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -59.98 -36.6 77.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -64.82 -32.71 74.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.36 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.712 ' O ' HG13 ' A' ' 61' ' ' ILE . 73.3 mt -71.67 -47.7 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 59' ' ' ASN . 24.7 m -55.22 -34.35 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.939 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.561 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.13 -43.13 74.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.586 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 15.5 t60 -70.44 -42.11 71.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.88 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.712 HG13 ' O ' ' A' ' 57' ' ' ILE . 2.1 mt -60.22 -45.68 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.949 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -66.1 -37.29 85.39 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.062 -179.404 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.76 -44.48 18.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.486 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 23.2 mm-40 -93.95 -18.79 21.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.369 -178.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.554 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 90.7 m-70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.01 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' A' ' 15' ' ' SER . 2.0 m-20 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.736 0.303 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.663 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -112.09 127.6 55.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.599 0.714 . . . . 0.0 111.483 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -110.32 114.49 27.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.121 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . 10.7 t -57.73 125.34 22.57 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -100.46 25.93 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.481 ' CH2' ' HB3' ' A' ' 28' ' ' HIS . 11.6 m95 -83.26 131.71 35.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.801 0.334 . . . . 0.0 110.614 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -66.72 -36.99 83.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 3.1 47.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.724 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.5 t -109.32 122.4 39.71 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-O 120.612 0.244 . . . . 0.0 111.374 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -100.14 34.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.348 2.699 . . . . 0.0 112.529 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.23 143.28 40.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.011 0.434 . . . . 0.0 111.677 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.2 p -121.32 163.4 18.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.506 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 3' ' ' LEU . . . -110.64 155.32 22.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER -96.68 -13.02 23.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.196 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.3 m -142.37 154.6 44.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.703 0.287 . . . . 0.0 111.36 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 10.9 tp -52.1 -35.28 47.42 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.292 0.568 . . . . 0.0 110.392 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.91 -34.66 71.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.19 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 31.0 m-20 -59.35 -45.37 91.57 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -178.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.663 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 16.4 tp -72.09 -38.64 69.32 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.534 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -48.33 76.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 109.95 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -36.05 66.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 t60 -69.62 -47.67 62.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.362 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.596 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -69.33 -49.14 58.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.989 0.423 . . . . 0.0 111.615 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -63.48 -45.81 89.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.888 -178.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -42.2 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 4.2 t0 -84.79 -46.3 11.51 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.596 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.1 m-70 -90.26 5.25 47.92 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 18.0 t -144.35 94.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.292 0.567 . . . . 0.0 111.013 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' ASP . 16.4 t -73.16 -19.79 61.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.322 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.433 ' HG2' ' CG ' ' A' ' 35' ' ' HIS . 2.1 mt-30 -56.64 82.86 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.148 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 4.2 m-20 -87.43 -21.93 25.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.359 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -177.59 -26.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.673 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -37.24 0.84 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' CG ' ' HG2' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -69.92 120.6 78.83 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.016 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.37 -49.11 6.48 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.467 2.111 . . . . 0.0 112.231 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.8 ttt -175.77 37.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -88.55 126.46 59.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.86 147.58 61.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.35 2.033 . . . . 0.0 112.171 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.499 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -93.0 125.81 37.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 50' ' ' LEU . . . -105.02 151.71 23.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.836 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 142.42 55.61 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.416 -0.586 . . . . 0.0 109.416 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.451 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 m-80 -107.94 35.48 3.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.049 -177.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.468 ' CH2' ' CB ' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -94.59 148.34 22.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.032 0.444 . . . . 0.0 110.788 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -50.28 66.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.426 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.2 -26.19 13.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 5.8 t -67.07 133.95 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.482 . . . . 0.0 111.717 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.67 20.61 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.242 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 11.0 t80 -63.98 142.67 58.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.262 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -134.74 139.06 44.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.073 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.438 ' N ' ' CD2' ' A' ' 50' ' ' LEU . . . -129.45 152.69 19.62 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.616 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -72.9 -32.13 65.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.699 0.285 . . . . 0.0 111.507 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.456 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -139.18 156.66 46.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.761 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.441 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 67.6 p -53.04 -38.23 62.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.822 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . . . -68.2 -35.49 78.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.509 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 m -72.06 -42.78 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.034 0.445 . . . . 0.0 110.227 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.508 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -68.85 -48.04 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.348 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.468 ' HA ' HG13 ' A' ' 61' ' ' ILE . 11.7 p -55.66 -34.74 36.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 121.012 0.434 . . . . 0.0 109.906 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.48 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -58.18 -39.8 79.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.519 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 4.0 t60 -70.88 -39.5 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.59 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.625 ' HA ' ' HD2' ' A' ' 65' ' ' HIS . 3.7 mt -60.16 -43.68 93.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.873 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.501 ' ND2' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -65.89 -40.0 91.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.199 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.11 -43.56 21.5 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' HG2' ' CE1' ' A' ' 60' ' ' HIS . 8.9 mp0 -92.58 -12.77 30.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.065 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.625 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 81.9 m-70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.719 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 15' ' ' SER . 1.2 m-20 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.697 0.284 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.672 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.3 tp -111.92 121.63 45.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.47 0.652 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -109.81 114.24 27.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.82 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.1 t -57.83 125.17 21.88 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.21 23.55 12.24 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 8.9 m95 -72.93 131.58 42.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -41.79 98.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.536 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.95 6.55 31.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.756 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 19.7 t -109.53 122.53 39.12 Favored Pre-proline 0 C--N 1.332 -0.178 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -101.4 37.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.563 2.842 . . . . 0.0 112.538 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -141.02 143.45 34.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.0 111.699 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -120.3 163.27 18.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.657 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 3' ' ' LEU . . . -110.59 156.43 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER -91.8 -21.78 20.49 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.33 170.09 16.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.606 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.576 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 5.7 tp -54.41 -41.84 69.77 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -70.39 -34.61 72.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.273 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -59.46 -46.67 88.1 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.798 -178.334 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -74.37 -41.37 61.11 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.651 178.275 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -57.93 -47.15 83.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.622 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.561 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -69.66 -39.64 76.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.594 179.789 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.8 t60 -70.06 -43.98 70.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.037 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.7 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -69.83 -48.87 57.33 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -178.015 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.561 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -64.73 -44.13 91.15 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.83 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 25' ' ' LEU . 25.6 mmtt -78.62 -41.57 31.26 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 4.9 t70 -83.24 -45.87 13.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.7 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.6 m-70 -90.46 5.02 49.36 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -172.77 59.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 111.003 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -61.16 -29.17 69.63 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.263 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 43.46 92.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.42 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.51 -38.27 86.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.97 -13.01 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.558 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.4 pttt 43.42 90.98 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.838 0.351 . . . . 0.0 111.436 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -69.94 120.99 81.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.59 -34.45 4.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.431 2.087 . . . . 0.0 112.305 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.4 mtt -59.98 -66.33 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.82 111.95 8.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.9 154.6 26.22 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.514 2.143 . . . . 0.0 112.316 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -91.61 119.37 31.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -112.26 152.8 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.0 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.594 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 3.5 t -59.99 142.42 53.91 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.451 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -110.36 38.49 2.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.236 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CZ3' HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.38 148.14 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.285 178.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -46.1 83.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -101.23 -26.05 13.78 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.7 t -72.48 140.05 48.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.105 0.479 . . . . 0.0 111.892 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.41 25.36 10.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.192 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.594 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 38.6 t80 -63.94 142.39 58.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.119 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.9 tt -138.7 139.99 38.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.9 169.21 23.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -90.55 -32.08 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.45 165.66 22.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.036 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -44.49 97.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.782 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.5 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -58.32 -36.57 73.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -33.86 72.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.703 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.682 ' O ' HG13 ' A' ' 61' ' ' ILE . 79.5 mt -72.52 -47.83 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.718 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.0 m -55.82 -34.68 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.749 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.2 t30 -68.01 -41.49 82.12 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.555 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 8.6 t60 -70.39 -44.14 68.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.823 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.682 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -57.65 -44.33 85.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.082 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.62 -37.59 87.02 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.979 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.3 -45.18 18.3 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.35 -16.27 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.624 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.5 m-70 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.743 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.711 0.291 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -92.91 130.45 38.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.379 0.609 . . . . 0.0 111.029 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.85 113.33 25.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.034 -0.985 . . . . 0.0 112.256 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.421 ' N ' HD22 ' A' ' 20' ' ' LEU . 3.4 t -58.95 125.34 23.17 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -94.42 22.55 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.435 ' CH2' ' HB3' ' A' ' 28' ' ' HIS . 15.2 m95 -83.15 131.8 35.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.331 . . . . 0.0 110.327 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -66.76 -39.81 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.346 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.09 7.73 26.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.823 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 t -109.44 122.39 39.62 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.483 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -101.16 22.97 0.17 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.516 2.811 . . . . 0.0 112.697 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.71 143.33 49.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.991 0.424 . . . . 0.0 111.793 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -119.8 163.12 17.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.548 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.87 156.0 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.334 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.7 p -96.12 -18.72 19.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.411 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 m -141.13 154.11 45.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 110.794 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 6.1 tp -50.62 -35.11 28.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.155 0.503 . . . . 0.0 110.527 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -34.09 72.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.224 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.96 -44.94 91.56 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -70.14 -39.89 75.13 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.227 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -57.8 -48.01 80.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.603 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 5.8 ttt85 -70.1 -39.52 75.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.718 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.467 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.6 t60 -69.14 -47.44 65.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.724 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -66.25 -44.83 82.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.957 0.408 . . . . 0.0 111.741 -179.418 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -66.44 -45.94 78.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.723 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 6.9 mmpt? -79.55 -41.4 27.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 15.0 t0 -83.43 -45.54 13.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -177.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.724 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.9 m-70 -89.72 5.26 46.72 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 24.7 t -146.54 96.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.207 0.527 . . . . 0.0 111.064 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.6 t -73.32 -38.1 65.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 62.03 90.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.637 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -71.4 -38.68 71.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.249 -179.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 84.6 m-85 -157.64 -162.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.699 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -126.1 114.22 18.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -91.55 132.68 32.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.784 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.36 -45.43 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.51 2.14 . . . . 0.0 112.43 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.0 ttm -113.13 51.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.37 85.32 5.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.98 154.69 26.28 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.746 2.297 . . . . 0.0 112.404 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -91.33 131.19 36.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.467 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.68 151.85 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.929 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.7 t -61.08 142.86 56.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.538 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.417 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -105.79 36.34 2.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.92 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.31 148.14 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.283 178.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.55 -52.69 45.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.37 -26.14 13.71 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.15 139.68 58.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.184 0.516 . . . . 0.0 111.975 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -120.31 24.43 10.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.193 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.551 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 19.1 t80 -63.79 142.52 58.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.32 145.0 44.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.997 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.27 169.12 24.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -81.8 -31.82 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.28 170.73 15.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.079 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.6 m -61.07 -40.73 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' A' ' 58' ' ' VAL . . . -58.39 -39.82 80.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.788 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t -59.67 -33.12 71.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.445 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.666 ' O ' HG13 ' A' ' 61' ' ' ILE . 50.7 mt -71.34 -46.51 64.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.352 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG23 ' N ' ' A' ' 59' ' ' ASN . 4.3 m -55.2 -34.4 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.585 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.09 -41.55 77.33 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.614 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.551 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 9.0 t60 -70.64 -43.05 70.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.736 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.666 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -57.88 -45.49 87.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.957 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.81 -36.8 84.53 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.124 -179.265 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.49 -44.66 18.81 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.506 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 51.4 mm-40 -94.13 -18.81 21.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.312 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.601 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.9 m-70 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 15' ' ' SER . 8.2 p-10 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.647 0.261 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.518 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -105.1 135.79 45.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 111.381 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -111.14 113.08 25.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.191 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.419 ' CA ' HD21 ' A' ' 20' ' ' LEU . 7.5 t -58.99 125.21 22.64 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -95.91 23.35 6.43 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.43 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 9.1 m95 -82.14 131.76 35.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.814 0.34 . . . . 0.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -39.51 90.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.536 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.06 3.72 44.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.893 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 31.3 t -109.57 122.37 39.57 Favored Pre-proline 0 C--N 1.332 -0.186 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.736 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.6 Cg_endo -101.41 21.44 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.568 2.845 . . . . 0.0 112.518 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.28 143.42 44.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.079 0.466 . . . . 0.0 111.895 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -114.97 163.68 15.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.51 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 3' ' ' LEU . . . -110.49 156.29 21.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.224 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -92.41 -25.72 18.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.47 -179.57 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.59 158.42 43.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.004 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.62 -43.0 56.77 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.128 0.489 . . . . 0.0 110.289 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -62.52 -33.62 75.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.634 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -58.57 -44.97 89.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.99 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -62.76 -43.42 98.84 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.842 179.476 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.421 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 4.6 tt0 -57.75 -48.19 80.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -71.99 -36.89 69.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.668 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 3.5 t60 -69.21 -47.53 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.678 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -69.33 -48.48 61.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.369 . . . . 0.0 111.53 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.14 -45.44 91.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.359 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -42.19 27.03 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 3.3 t0 -84.41 -46.32 11.82 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.678 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 98.9 m-70 -90.9 5.44 48.58 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.1 t -150.89 94.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.227 0.537 . . . . 0.0 111.092 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.8 t -65.21 -34.98 79.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.048 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 61.49 69.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.786 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -71.84 -26.79 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 65.23 33.47 9.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.811 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -34.28 63.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -83.82 139.06 40.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.56 -46.31 0.64 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.42 2.08 . . . . 0.0 112.32 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -148.47 85.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -137.05 109.61 9.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.748 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.75 145.29 72.49 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.331 2.02 . . . . 0.0 112.149 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -91.98 140.11 29.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -114.44 152.41 31.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.627 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.42 142.64 54.76 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.43 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 m-80 -106.82 35.33 3.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.073 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.419 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.39 148.1 22.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.478 179.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -47.86 77.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.477 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.3 -26.1 13.74 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.9 t -68.95 136.66 52.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.127 0.489 . . . . 0.0 111.969 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -115.9 22.53 12.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.173 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 25.1 t80 -64.02 142.3 58.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.254 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 1.7 pp -138.36 141.13 39.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.861 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.97 169.1 21.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.68 -31.81 22.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -137.43 169.63 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.3 p -60.66 -34.95 75.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -66.98 -37.35 84.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 m -57.96 -33.6 69.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.517 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.729 ' O ' HG13 ' A' ' 61' ' ' ILE . 90.5 mt -71.74 -46.57 61.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.254 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.576 HG21 ' N ' ' A' ' 59' ' ' ASN . 3.0 m -55.17 -34.33 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.576 ' N ' HG21 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -69.67 -45.18 68.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.869 178.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.538 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 9.6 t60 -70.08 -44.67 68.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.729 HG13 ' O ' ' A' ' 57' ' ' ILE . 2.5 mt -57.72 -44.78 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.79 -36.37 83.34 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.782 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.515 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.59 -44.8 18.38 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.479 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 57.6 mm-40 -94.18 -16.95 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.181 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.625 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.1 m-70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.738 0.304 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -87.82 131.04 34.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.445 0.641 . . . . 0.0 110.97 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.47 113.04 25.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.822 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.504 ' N ' HD22 ' A' ' 20' ' ' LEU . 1.8 t -58.93 125.19 22.56 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.8 23.52 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.698 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.467 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 8.5 m95 -82.99 131.79 35.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -43.74 89.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.679 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.31 12.47 11.86 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -109.35 122.46 39.49 Favored Pre-proline 0 C--N 1.332 -0.19 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.629 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -101.14 25.97 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.456 2.771 . . . . 0.0 112.591 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.48 143.35 51.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.056 0.455 . . . . 0.0 111.755 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -118.32 163.31 16.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.616 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.72 155.84 21.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.254 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.1 -19.9 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.482 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.27 155.19 46.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 9.9 tp -50.45 -35.53 29.2 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.158 0.504 . . . . 0.0 110.229 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -70.38 -33.68 71.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.953 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.62 -44.96 90.15 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -69.9 -41.24 74.95 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.048 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -57.8 -43.91 85.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.55 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -72.25 -42.9 65.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.422 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -69.64 -40.76 76.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.763 -179.416 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.669 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.9 OUTLIER -69.98 -49.21 53.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.453 HD23 ' HB3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -63.92 -43.85 94.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.342 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HB3' HD23 ' A' ' 25' ' ' LEU . 9.7 ptpt -78.81 -41.72 29.55 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 t70 -83.97 -46.0 12.54 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 98.4 m-70 -91.22 5.28 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -178.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 80.1 t -150.29 102.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.385 0.612 . . . . 0.0 111.636 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 t -73.24 -26.85 61.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.574 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 63.62 142.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.5 m-20 -62.79 -24.75 67.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.481 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 9.9 m-85 67.52 -65.86 0.22 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.115 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.26 46.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.094 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -95.97 135.87 22.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.822 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -75.47 -46.73 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.467 2.111 . . . . 0.0 112.477 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.3 tpp -177.47 68.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.54 120.18 40.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.74 154.32 26.53 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.413 2.075 . . . . 0.0 112.489 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -118.3 127.28 53.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.936 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -98.45 153.17 18.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.677 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 2.5 t -59.73 140.49 56.45 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.503 ' ND2' ' N ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -98.04 30.14 3.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.741 -177.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.456 ' CZ3' HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.55 148.54 22.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.107 0.479 . . . . 0.0 111.048 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.77 -49.7 75.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.619 -179.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -101.08 -26.29 13.75 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.8 t -65.87 134.63 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.967 0.413 . . . . 0.0 111.565 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.95 21.45 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.603 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 20.1 t80 -63.98 142.31 58.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.025 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.9 tt -135.37 151.68 50.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.039 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.3 169.17 26.99 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.07 -23.95 26.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.711 0.291 . . . . 0.0 111.262 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -150.57 169.69 20.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 t -58.43 -38.25 77.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.797 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.74 -36.52 76.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.2 m -64.46 -33.48 75.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.264 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.772 ' O ' HG13 ' A' ' 61' ' ' ILE . 66.3 mt -72.42 -48.08 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.874 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 55' ' ' ALA . 4.8 m -55.61 -34.76 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.055 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.562 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.22 -44.22 72.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.897 178.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 6.8 t60 -70.19 -44.08 69.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.049 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.772 HG13 ' O ' ' A' ' 57' ' ' ILE . 2.8 mt -57.81 -44.06 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.146 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.88 -36.26 82.92 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.78 -179.736 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.52 -44.46 19.06 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 14.7 mm-40 -93.81 -18.31 22.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.135 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.656 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 84.5 m-70 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.763 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' SER . 1.4 m-20 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.726 0.298 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.523 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -111.98 136.4 51.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.643 0.735 . . . . 0.0 111.455 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.34 114.11 27.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.669 -1.151 . . . . 0.0 112.005 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.7 t -57.84 125.15 21.81 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -99.58 26.52 6.07 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.519 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 7.7 m0 -82.95 131.66 35.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -63.28 -35.34 80.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.544 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.07 -7.87 57.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.743 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 33.6 t -109.38 122.35 39.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 51.1 Cg_endo -100.59 12.59 0.5 Allowed 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.422 2.748 . . . . 0.0 112.486 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.47 143.38 27.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.108 0.48 . . . . 0.0 111.896 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 p -118.47 163.43 16.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.353 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 3' ' ' LEU . . . -110.62 149.93 29.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.901 0.382 . . . . 0.0 111.242 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 1.4 t -81.62 -25.52 35.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.368 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -141.73 168.06 20.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 2.1 tp -54.22 -44.06 71.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.178 0.513 . . . . 0.0 110.453 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -65.13 -33.53 76.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.237 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 5.4 m-20 -58.22 -45.14 88.23 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' CB ' ' HB3' ' A' ' 3' ' ' LEU . 53.2 tp -73.25 -39.75 65.2 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.346 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -48.63 78.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.005 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -72.93 -32.81 65.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.597 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.425 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.9 t60 -69.41 -47.67 63.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.745 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.652 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -69.47 -41.05 76.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.37 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.59 -46.45 75.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.671 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -79.91 -42.03 24.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 31.6 t0 -83.77 -45.78 12.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.652 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 98.9 m-70 -92.33 5.31 51.06 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -168.44 66.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.479 0.657 . . . . 0.0 111.253 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -73.08 -25.35 60.86 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.19 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 64.97 102.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.0 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -38.69 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -140.56 -163.7 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.547 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -121.93 129.12 52.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -93.02 121.0 66.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.752 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.61 -49.1 18.47 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.492 2.128 . . . . 0.0 112.313 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.9 mtt -139.88 88.32 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.8 97.1 0.78 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -55.79 154.42 26.4 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.54 2.16 . . . . 0.0 112.248 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -91.62 114.51 27.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.657 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -99.56 152.19 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.051 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 4.5 t -60.55 142.59 55.2 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.625 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.427 ' HB2' ' CZ2' ' A' ' 7' ' ' TRP . 1.3 m-80 -108.82 39.12 2.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.097 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' CZ3' HG21 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.34 148.28 22.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.336 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -53.97 28.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.35 -26.02 13.75 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.8 t -63.97 140.15 58.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.153 0.501 . . . . 0.0 111.913 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -118.99 25.96 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.33 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.579 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 36.0 t80 -63.91 142.57 58.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.144 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -133.83 140.88 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.05 169.03 23.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.422 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.2 -32.09 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -139.05 168.39 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.986 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -33.7 71.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.426 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -66.78 -36.86 83.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.7 m -62.52 -33.47 74.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.686 ' O ' HG13 ' A' ' 61' ' ' ILE . 80.1 mt -71.63 -47.16 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.582 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.559 HG21 ' N ' ' A' ' 59' ' ' ASN . 3.2 m -55.15 -34.36 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.956 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.574 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.54 -42.48 74.55 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.601 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.577 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 13.4 t60 -70.34 -44.05 68.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.003 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.686 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -57.89 -44.67 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.91 -37.48 86.19 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.033 -179.418 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.495 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.6 -44.62 18.64 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.511 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 13.8 mm-40 -94.02 -17.86 22.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.249 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.578 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.7 m-70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.992 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.685 0.279 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.87 136.98 33.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.423 0.63 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 112.75 24.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.54 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 8.6 t -59.26 125.63 24.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -89.87 18.25 5.87 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -178.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.433 ' CD1' ' CZ2' ' A' ' 44' ' ' TRP . 11.6 m95 -83.19 131.5 35.11 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.215 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -41.5 82.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.796 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -85.19 7.54 21.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.88 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.6 t -109.44 122.53 39.2 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.659 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -101.18 21.38 0.2 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.536 2.824 . . . . 0.0 112.624 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -112.45 143.4 43.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.068 0.461 . . . . 0.0 111.933 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.4 p -117.13 163.45 16.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.547 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.65 156.05 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.279 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -93.01 -28.94 16.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.356 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -141.47 160.99 38.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 21.9 tp -50.68 -32.48 19.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.112 0.482 . . . . 0.0 110.336 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.11 -34.11 72.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.825 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.91 -45.31 90.61 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 1.2 tp -61.15 -44.73 96.87 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.812 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.452 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 10.6 tt0 -57.7 -48.38 79.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.104 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.4 ttp-105 -72.15 -36.81 69.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 t60 -69.25 -47.4 64.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.171 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.629 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -69.16 -44.03 73.08 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.158 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.504 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -66.12 -46.0 79.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.93 -178.659 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -79.51 -41.79 26.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 13.9 t0 -83.96 -45.38 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.629 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.4 m-70 -89.84 5.68 45.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.504 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 65.5 t -135.76 94.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.422 0.629 . . . . 0.0 111.247 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -73.15 -27.92 61.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.942 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 62.24 91.4 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.18 -37.38 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 64.92 36.49 7.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.59 -29.66 19.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -87.85 139.05 31.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.999 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.76 -44.62 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.491 2.128 . . . . 0.0 112.389 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.1 mmt -151.77 85.7 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.64 121.66 9.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.87 154.19 27.82 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.481 2.121 . . . . 0.0 112.385 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -91.84 149.26 21.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.756 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -126.76 151.97 47.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.956 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 2.5 t -60.46 142.7 54.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.627 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.2 35.77 3.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.499 ' CH2' ' CG ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.44 148.1 22.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.359 . . . . 0.0 110.284 178.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -44.79 91.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.22 -26.17 13.74 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 12.6 t -74.71 138.11 42.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.14 0.495 . . . . 0.0 111.86 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.95 27.29 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.14 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 37.1 t80 -64.01 142.83 58.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.343 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 2.5 tp -140.17 138.53 35.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.813 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.24 169.08 21.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.603 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.34 -32.02 22.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.669 0.271 . . . . 0.0 110.991 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -137.46 168.99 18.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.9 p -60.27 -39.32 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.419 ' HA ' HG23 ' A' ' 58' ' ' VAL . . . -62.0 -36.95 83.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -33.7 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.685 ' O ' HG13 ' A' ' 61' ' ' ILE . 58.8 mt -71.93 -47.02 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.606 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.547 HG22 ' N ' ' A' ' 59' ' ' ASN . 3.7 m -55.11 -34.74 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.547 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.1 t30 -69.62 -42.3 74.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.581 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 18.0 t60 -70.22 -44.8 67.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.24 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.685 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.9 mt -57.88 -44.93 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.952 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.81 -37.72 87.02 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.02 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.504 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.29 -45.19 18.31 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.31 -16.43 23.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.066 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.603 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.9 m-70 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' A' ' 15' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.744 0.306 . . . . 0.0 111.291 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 17' ' ' LEU . 1.9 tp -112.31 126.33 55.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.42 0.628 . . . . 0.0 111.401 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.32 112.89 25.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.904 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 50.3 t -59.15 124.98 21.75 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -106.85 35.66 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.468 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 5.5 m95 -78.98 131.72 36.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -44.25 77.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.719 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.34 4.7 41.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 7.5 t -109.33 122.34 39.88 Favored Pre-proline 0 C--N 1.331 -0.216 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.868 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.4 Cg_endo -102.15 31.8 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.595 2.863 . . . . 0.0 112.404 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -134.88 143.55 47.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.034 0.445 . . . . 0.0 111.691 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -122.93 163.9 19.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.464 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 3' ' ' LEU . . . -109.51 156.1 20.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.344 . . . . 0.0 110.792 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER -94.2 -12.74 27.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.803 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -141.38 163.25 33.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.518 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.564 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 9.7 tp -56.66 -39.73 74.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.237 0.542 . . . . 0.0 110.489 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -70.46 -34.5 72.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.529 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 1.2 m-20 -59.27 -45.31 91.57 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.549 ' HB3' HD22 ' A' ' 3' ' ' LEU . 3.1 tt -69.69 -39.95 76.63 Favored 'General case' 0 CA--C 1.523 -0.061 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.3 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -57.9 -48.63 79.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.789 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -33.97 67.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.513 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.433 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 3.8 t60 -69.03 -47.74 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.652 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -69.3 -41.05 77.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.527 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -66.58 -46.28 76.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.668 -179.259 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -79.33 -41.5 27.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 33.0 t0 -83.81 -45.62 13.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.652 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.5 m-70 -99.32 -15.28 18.88 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -177.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 3.4 t -123.71 37.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.41 0.624 . . . . 0.0 110.862 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 t -65.85 -19.93 66.06 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.281 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 43.85 95.36 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.701 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.27 -32.75 38.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -111.63 -42.58 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? 63.83 105.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -96.06 120.86 62.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.95 -31.65 2.23 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.486 2.124 . . . . 0.0 112.504 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -86.04 -35.68 20.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.099 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -85.06 114.84 58.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.036 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.65 155.24 22.4 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.613 2.209 . . . . 0.0 112.536 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' CD2' ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -90.99 111.91 23.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.49 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -103.72 152.72 21.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.01 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.461 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.7 t -60.23 142.44 54.51 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.468 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.5 m-80 -107.79 37.77 2.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.765 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.4 148.31 22.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.167 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.91 -55.49 14.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.25 -25.29 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.9 t -63.85 139.96 58.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 0.0 111.837 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -119.65 24.62 10.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.378 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 21.3 t80 -63.77 142.87 58.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.005 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.444 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 2.6 tt -134.1 147.2 50.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.055 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -141.55 169.09 25.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.43 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -91.75 -32.13 15.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 111.076 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.6 166.4 23.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -59.64 -33.54 71.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -67.09 -36.66 82.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.5 m -60.56 -33.44 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.627 ' O ' HG13 ' A' ' 61' ' ' ILE . 58.8 mt -72.21 -47.63 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 55' ' ' ALA . 10.2 m -55.8 -34.7 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.75 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.567 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -68.4 -40.3 81.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.564 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 15.4 t60 -70.71 -44.55 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.857 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.5 mt -57.83 -45.01 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.43 -38.79 90.95 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.209 -179.083 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.5 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.6 -45.25 17.62 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.5 -18.23 21.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.559 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 94.3 m-70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.68 0.276 . . . . 0.0 111.124 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -85.98 138.08 32.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.409 0.623 . . . . 0.0 111.014 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.67 113.65 26.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.172 -178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.1 t -58.25 125.04 21.54 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 6.75 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.439 ' CH2' ' HB3' ' A' ' 28' ' ' HIS . 12.9 m95 -74.94 131.61 40.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -33.54 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.735 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -87.14 2.94 48.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.515 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -109.52 122.7 38.64 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -98.98 20.19 0.33 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.336 2.691 . . . . 0.0 112.646 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 143.42 34.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 0.0 111.803 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 p -117.45 163.21 16.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.714 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' HB1' HD21 ' A' ' 20' ' ' LEU . . . -112.46 156.32 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.392 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -93.48 -29.69 15.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.9 m -141.76 161.66 37.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.626 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 24.8 tp -50.78 -31.6 17.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.088 0.471 . . . . 0.0 110.358 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -70.2 -34.6 73.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.623 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 1.3 m-20 -59.21 -45.33 91.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.708 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HG ' ' CD1' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -64.52 -45.74 85.88 Favored 'General case' 0 N--CA 1.458 -0.044 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.665 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 4.8 tt0 -57.93 -48.13 80.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.721 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -72.02 -35.86 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.482 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 5.2 t60 -69.22 -47.71 64.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.653 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -67.55 -41.6 84.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.241 -179.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.34 -46.42 76.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.483 -179.31 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -79.23 -40.81 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.944 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 13.0 t0 -84.06 -45.96 12.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.653 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 95.0 m-70 -99.93 -15.06 18.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -177.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -123.6 40.04 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.331 0.586 . . . . 0.0 110.93 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 7.6 t -70.1 -20.17 63.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.38 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 30' ' ' SER . 2.4 pt20 32.76 91.8 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.121 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.11 -32.27 59.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -65.48 144.31 57.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -98.09 67.24 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -80.39 120.92 80.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.16 -45.25 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.477 2.118 . . . . 0.0 112.32 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.3 ttt -140.06 100.14 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -165.66 114.31 0.8 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.87 154.13 28.11 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.424 2.082 . . . . 0.0 112.292 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -106.01 143.66 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.815 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -117.98 152.04 36.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.639 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.4 t -60.52 142.47 55.25 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.53 35.92 3.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.498 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.6 148.25 22.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.503 178.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.7 -45.5 91.92 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -101.09 -26.19 13.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.5 t -73.13 140.05 46.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.058 0.456 . . . . 0.0 111.829 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.0 25.87 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.166 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.592 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 46.8 t80 -63.91 142.72 58.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.31 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -140.4 138.92 35.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.701 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.13 169.14 21.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.656 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -85.61 -31.47 22.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.775 0.321 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.61 173.93 11.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.993 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 p -64.54 -37.64 88.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.783 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.86 -36.93 84.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 p -60.47 -33.63 72.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.67 ' O ' HG13 ' A' ' 61' ' ' ILE . 77.9 mt -71.6 -46.17 63.98 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.563 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG23 ' N ' ' A' ' 59' ' ' ASN . 3.6 m -55.27 -34.62 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.569 ' N ' HG23 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -69.99 -41.76 73.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.272 0.558 . . . . 0.0 109.538 178.396 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.592 ' CD2' ' CD2' ' A' ' 49' ' ' PHE . 23.8 t60 -70.2 -45.08 67.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.244 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.67 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -58.3 -45.01 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.55 -38.78 90.58 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.986 -179.485 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.502 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.47 -45.38 17.65 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.51 -17.56 22.29 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 92.8 m-70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 p30 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.687 0.279 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -107.15 137.33 45.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.505 0.669 . . . . 0.0 111.367 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.81 113.46 26.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.974 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.407 ' CA ' HD22 ' A' ' 20' ' ' LEU . 24.3 t -58.7 125.34 23.05 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.24 22.36 6.89 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.427 ' CH2' ' HB3' ' A' ' 28' ' ' HIS . 10.7 m95 -83.15 131.62 35.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.359 . . . . 0.0 110.213 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.2 -44.17 89.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.8 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.21 0.84 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.797 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 28.1 t -109.42 122.27 39.99 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -101.06 20.73 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.531 2.82 . . . . 0.0 112.558 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.06 143.42 43.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.066 0.46 . . . . 0.0 111.782 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -121.48 163.48 18.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.584 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.53 156.15 21.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 111.187 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.23 -14.8 23.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.649 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 t -141.47 151.1 43.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 12.2 tp -51.05 -35.81 36.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.124 0.488 . . . . 0.0 110.431 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -70.18 -33.82 72.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.243 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.57 -44.24 89.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.529 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.58 -40.57 83.54 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.626 179.696 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' HG3' ' HB ' ' A' ' 58' ' ' VAL . 3.7 tt0 -59.95 -48.74 80.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.222 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -69.28 -38.66 78.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.002 0.43 . . . . 0.0 110.583 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.8 t60 -69.31 -47.27 64.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.599 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -69.35 -42.68 74.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.211 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.443 ' CD1' ' CG1' ' A' ' 58' ' ' VAL . 9.0 tp -66.49 -45.4 79.75 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.975 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -78.6 -41.56 31.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 7.6 t0 -83.8 -45.42 13.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.599 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.9 m-70 -98.73 5.66 47.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.402 ' HB ' ' HA ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -139.84 120.21 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.299 0.571 . . . . 0.0 111.552 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -26.47 60.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.862 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 44.79 77.04 0.08 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.553 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.17 -37.99 16.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.811 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 61.93 -175.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.06 40.5 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -96.03 133.16 25.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.04 -49.02 18.53 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.435 2.09 . . . . 0.0 112.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.9 ptp -175.42 47.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.716 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -112.7 93.56 24.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.019 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.82 154.37 26.79 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.538 2.159 . . . . 0.0 112.184 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 2.1 tp -91.66 149.09 21.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.774 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -126.58 152.0 47.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.104 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -60.9 142.72 56.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.67 179.513 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -107.91 36.33 2.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.879 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.3 148.07 22.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.203 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -44.37 91.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -101.22 -26.06 13.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.96 139.85 45.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 0.0 112.039 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -120.36 25.05 10.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.052 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 17.7 t80 -63.91 142.57 58.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.291 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 10.1 tp -137.18 136.24 38.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.744 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.93 169.04 21.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.17 -32.12 61.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.303 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -149.01 171.98 15.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.3 t -57.08 -48.92 77.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.487 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -55.22 -37.0 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.911 0.386 . . . . 0.0 110.668 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -63.17 -33.36 75.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.912 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.616 ' O ' HG13 ' A' ' 61' ' ' ILE . 58.0 mt -71.23 -44.7 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.071 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.549 HG21 ' N ' ' A' ' 59' ' ' ASN . 2.3 m -55.2 -34.36 32.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.59 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.549 ' N ' HG21 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -67.69 -41.64 83.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.449 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.559 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 8.6 t60 -70.45 -43.01 70.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.753 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.7 mt -57.45 -45.55 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.825 -179.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.87 -36.65 84.01 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.054 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.17 -45.49 18.01 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.8 -17.86 21.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.615 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.8 m-70 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.827 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.674 0.274 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.567 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -86.05 131.96 34.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.403 0.62 . . . . 0.0 111.052 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.54 113.43 26.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.058 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . 1.7 t -58.85 125.18 22.48 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.432 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 11.3 tttp -90.08 11.88 19.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 15.9 m95 -73.01 131.74 42.52 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.221 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -38.28 87.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.205 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -87.23 6.09 34.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.935 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 15.2 t -109.24 122.05 40.82 Favored Pre-proline 0 CA--C 1.53 0.205 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.621 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 45.9 Cg_endo -101.65 11.87 0.43 Allowed 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.542 2.828 . . . . 0.0 112.575 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -103.6 143.32 32.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.015 0.436 . . . . 0.0 111.872 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.1 m -115.75 163.11 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.538 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 3' ' ' LEU . . . -115.39 156.2 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.284 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.28 -23.72 18.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.221 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -141.15 159.14 42.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.773 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 3.2 tp -50.53 -39.47 49.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.2 0.524 . . . . 0.0 110.612 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -33.8 76.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.987 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.517 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 1.1 m-20 -58.49 -46.09 87.39 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.668 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -74.05 -39.24 63.63 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.404 178.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -57.08 -48.67 78.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.74 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -72.98 -43.11 62.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.517 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.3 t60 -58.83 -40.56 84.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.444 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.642 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -64.61 -44.71 89.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 1.9 mp -66.39 -44.51 82.87 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.506 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -78.65 -41.37 31.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 12.1 t70 -83.1 -45.34 14.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.642 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 95.6 m-70 -92.69 5.21 51.89 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 33.0 t -146.0 94.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.338 0.589 . . . . 0.0 111.127 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.8 t -73.28 -29.61 62.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 61.58 108.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.97 -38.45 91.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.456 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.53 -167.57 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -76.67 103.89 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -72.91 139.07 79.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.71 -37.18 7.21 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.457 2.104 . . . . 0.0 112.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.8 53.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.782 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -109.33 99.02 34.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.58 154.02 26.87 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.14 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.96 105.27 17.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -84.93 152.11 23.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.027 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 1.2 t -60.42 142.34 55.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.449 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 m-80 -109.61 35.97 3.14 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.092 -0.503 . . . . 0.0 112.013 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.465 ' CZ3' HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -94.52 148.35 22.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.061 0.458 . . . . 0.0 110.735 179.194 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -52.62 -51.87 58.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.76 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.23 -15.7 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.5 t -77.93 135.26 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.112 0.482 . . . . 0.0 111.937 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -113.37 16.74 18.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.298 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 12.2 t80 -63.86 143.11 58.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -137.32 139.4 40.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.02 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.07 156.4 21.19 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.391 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.7 -32.28 60.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.301 . . . . 0.0 111.576 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.37 154.53 50.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.411 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 18.8 p -53.39 -38.99 63.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.421 ' HA ' HG11 ' A' ' 58' ' ' VAL . . . -67.91 -35.39 78.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.354 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 m -71.99 -45.36 61.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.511 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -64.22 -48.05 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.119 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.445 ' HA ' HG13 ' A' ' 61' ' ' ILE . 10.9 p -55.58 -34.87 36.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.051 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -58.21 -39.61 79.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 3.2 t60 -70.89 -41.86 70.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.582 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.653 ' HA ' ' HD2' ' A' ' 65' ' ' HIS . 4.0 mt -57.91 -44.18 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.227 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.491 ' ND2' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -65.94 -36.78 84.29 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.976 -179.679 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.491 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -79.57 -43.72 22.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.982 0.42 . . . . 0.0 112.015 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.486 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 38.0 mm-40 -93.39 -12.64 29.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.957 -178.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.653 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 61.5 m-70 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.676 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.679 0.276 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.52 ' HG ' ' HA ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -85.73 139.82 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.257 0.551 . . . . 0.0 110.832 179.784 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.13 112.32 24.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.654 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.8 t -59.76 125.45 23.71 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 0.53 27.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.453 ' CZ2' HD22 ' A' ' 24' ' ' LEU . 13.2 m95 -72.9 131.75 42.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.763 0.316 . . . . 0.0 110.25 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -76.61 -35.12 58.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.426 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.03 9.88 18.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.567 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.4 t -109.34 122.87 38.3 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.603 0.239 . . . . 0.0 111.274 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -98.47 24.49 0.22 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.316 2.677 . . . . 0.0 112.612 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -121.92 143.28 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 111.599 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -114.72 163.34 15.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.887 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 3' ' ' LEU . . . -110.72 157.64 19.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.9 m -91.6 -33.43 15.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.29 170.47 15.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.968 0.413 . . . . 0.0 111.758 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.52 ' HA ' ' HG ' ' A' ' 3' ' ' LEU . 58.8 tp -50.77 -43.15 58.38 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -67.41 -35.42 79.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.613 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 8.5 t0 -60.9 -45.6 93.96 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.119 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.81 -39.87 95.62 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.777 178.666 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.02 -48.27 71.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.214 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -42.3 71.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 4.0 t60 -59.33 -47.14 86.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.658 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -69.17 -41.84 76.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.454 -179.703 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.18 -46.32 77.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.43 -179.157 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -80.0 -41.75 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 5.2 t70 -84.08 -46.38 12.03 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.658 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 98.1 m-70 -91.1 5.19 49.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -166.07 69.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.423 0.63 . . . . 0.0 111.18 179.591 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.3 t -73.3 -19.76 60.96 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.467 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 76.89 123.06 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.67 -38.36 58.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.028 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.15 -160.31 1.15 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.832 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -123.97 97.77 5.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -78.66 139.03 58.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.5 -38.99 3.98 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.467 2.111 . . . . 0.0 112.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ttm -154.03 82.15 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.07 91.31 3.17 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -55.64 155.02 23.1 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.538 2.159 . . . . 0.0 112.62 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' HG ' HD11 ' A' ' 57' ' ' ILE . 1.5 pt? -111.29 149.05 31.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.457 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.0 154.34 21.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.158 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HB2' ' HD1' ' A' ' 49' ' ' PHE . 1.8 t -58.9 142.36 50.95 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -106.86 38.48 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.515 ' CH2' ' CG ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.53 148.14 22.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.831 0.348 . . . . 0.0 110.173 178.669 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.7 -44.88 86.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.49 -26.04 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 7.3 t -72.23 133.97 45.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.183 0.516 . . . . 0.0 112.257 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -114.51 22.82 13.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.607 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 25.4 t80 -64.02 142.47 58.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.466 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 tp -136.78 143.45 43.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.526 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.04 162.98 23.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.684 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -81.08 -32.05 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -135.35 165.93 24.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.7 -39.44 77.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.18 -36.23 81.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.338 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.4 m -57.37 -33.98 68.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.73 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.662 ' O ' HG13 ' A' ' 61' ' ' ILE . 19.0 mt -72.48 -47.58 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.594 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.8 m -55.84 -34.72 37.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.737 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.565 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -66.32 -42.22 88.54 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.489 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 5.9 t60 -70.51 -41.06 73.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.651 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.8 mt -58.6 -44.83 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.977 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.565 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.83 -36.9 84.75 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.004 -179.363 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.78 -44.65 18.23 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.486 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 42.1 mm-40 -94.0 -19.26 21.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.274 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.607 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 89.1 m-70 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.705 0.288 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.556 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.85 136.79 32.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.402 0.62 . . . . 0.0 111.084 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.9 113.0 25.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.62 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.431 ' HB2' HD22 ' A' ' 20' ' ' LEU . 3.7 t -59.28 125.46 23.71 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -94.36 22.5 5.99 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CZ2' HD21 ' A' ' 24' ' ' LEU . 13.5 m95 -83.08 131.67 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 110.128 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -39.87 91.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.536 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.05 6.14 34.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.875 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 15.6 t -109.43 122.13 40.39 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.655 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.9 Cg_endo -102.39 17.49 0.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.616 2.878 . . . . 0.0 112.728 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -111.69 143.5 42.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.027 0.441 . . . . 0.0 111.855 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -112.4 163.34 14.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.728 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.416 ' HB1' HD21 ' A' ' 20' ' ' LEU . . . -110.91 156.34 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.354 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 t -94.88 -25.92 16.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.427 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -141.33 159.56 41.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 21.7 tp -50.52 -44.19 56.12 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.157 0.503 . . . . 0.0 110.294 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -61.93 -33.65 74.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.213 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.523 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 23.4 t0 -58.5 -45.37 88.89 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.293 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -67.41 -45.44 76.14 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.095 178.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -47.46 82.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.799 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -72.08 -38.05 69.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 2.7 t60 -68.97 -47.41 65.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.7 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -66.6 -42.92 86.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.919 0.39 . . . . 0.0 111.71 -179.381 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.29 -46.1 78.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.423 -179.282 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -79.7 -41.66 26.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 18.1 t0 -83.44 -45.52 13.55 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -177.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.7 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.7 m-70 -89.83 5.76 44.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 88.6 t -149.77 104.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.406 0.622 . . . . 0.0 111.108 179.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 t -73.09 -23.43 60.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 60.94 84.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.675 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -32.78 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 61.14 -177.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tptt 64.06 28.73 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -96.15 120.84 62.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.782 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.34 -49.09 13.17 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.404 2.069 . . . . 0.0 112.29 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.0 ttt -162.56 88.75 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.747 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -149.03 92.35 4.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.63 154.38 25.64 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.478 2.119 . . . . 0.0 112.229 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -91.73 131.36 37.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -114.6 152.64 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.848 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.9 t -60.12 142.51 54.1 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.67 36.13 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.426 ' CH2' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.49 148.1 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.898 0.38 . . . . 0.0 110.311 178.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -45.99 83.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -101.21 -26.06 13.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.4 t -72.72 135.82 45.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.067 0.46 . . . . 0.0 111.923 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -113.61 25.86 10.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.062 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.563 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 42.4 t80 -63.95 142.45 58.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.294 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -138.53 140.47 39.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.855 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.51 169.29 23.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.555 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.81 -32.09 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.313 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -142.22 171.8 13.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.408 ' CG2' ' CD1' ' A' ' 40' ' ' LEU . 40.2 p -60.01 -38.89 83.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -60.64 -36.8 79.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.002 0.43 . . . . 0.0 111.07 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -63.71 -33.5 75.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.208 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.736 ' O ' HG13 ' A' ' 61' ' ' ILE . 80.8 mt -72.32 -47.63 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 55' ' ' ALA . 6.3 m -55.31 -34.58 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.538 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.35 -44.35 71.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.766 178.738 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.563 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 10.6 t60 -70.11 -44.49 68.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.058 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.736 HG13 ' O ' ' A' ' 57' ' ' ILE . 2.7 mt -57.79 -44.81 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.044 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.91 -36.52 83.62 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.015 -179.547 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.506 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.88 -44.5 18.25 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.486 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 45.2 mm-40 -93.96 -17.99 22.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.191 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.2 m-70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.803 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.75 0.31 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.98 134.49 33.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.456 0.646 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 113.13 25.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.325 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.571 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 6.3 t -59.08 125.3 23.04 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 21.63 7.86 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CH2' ' HB3' ' A' ' 28' ' ' HIS . 14.6 m95 -80.69 131.83 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -65.03 -40.13 94.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.609 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -87.13 6.54 32.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 17.6 t -109.4 122.38 39.68 Favored Pre-proline 0 CA--C 1.53 0.174 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.666 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.9 Cg_endo -101.82 20.41 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.541 2.827 . . . . 0.0 112.559 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -116.18 143.38 45.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.066 0.46 . . . . 0.0 111.744 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.0 p -114.26 163.43 15.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.548 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 19' ' ' ASP . . . -110.57 156.1 21.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -94.73 -23.83 17.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.68 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -141.49 157.98 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.64 0.257 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 31.5 tp -50.58 -44.08 56.72 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.175 0.512 . . . . 0.0 110.072 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.43 -33.92 76.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.963 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 6.6 t70 -58.72 -45.34 89.81 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.994 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.571 ' CD1' ' HA ' ' A' ' 5' ' ' CYS . 4.2 tp -63.37 -46.08 88.16 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 120.124 -0.63 . . . . 0.0 109.727 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -57.88 -45.57 86.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.86 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -72.09 -38.78 69.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.664 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.5 t60 -69.19 -47.54 64.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.705 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -66.29 -43.82 85.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.841 0.353 . . . . 0.0 111.559 -179.362 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.41 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.31 -45.93 78.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.453 -179.242 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -79.18 -41.42 28.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 29.9 t0 -83.3 -45.74 13.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.705 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.5 m-70 -93.18 5.5 51.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.2 t -151.74 91.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.193 0.52 . . . . 0.0 111.012 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -56.91 -31.88 65.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 61.81 73.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.99 -38.3 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.42 -165.03 0.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.717 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -122.97 81.98 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -88.55 120.91 70.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.15 -35.19 2.49 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.508 2.139 . . . . 0.0 112.455 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.0 ttt -57.84 -29.12 64.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.63 93.56 43.81 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.68 155.02 23.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.774 2.316 . . . . 0.0 112.202 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -90.82 105.61 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.125 0.488 . . . . 0.0 110.452 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -102.8 152.35 21.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.981 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.578 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 4.2 t -60.56 142.46 55.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.501 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.403 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -108.5 39.11 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.437 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.5 148.19 22.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.935 0.397 . . . . 0.0 110.386 178.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -52.32 42.91 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -101.27 -26.13 13.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.8 t -66.49 138.94 57.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.122 0.487 . . . . 0.0 111.85 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.75 27.11 8.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.139 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 26.9 t80 -63.83 142.57 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.278 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -133.36 144.95 49.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.797 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.42 169.09 24.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.574 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -83.41 -32.0 26.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -144.27 179.15 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 m -65.77 -41.35 92.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.507 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -59.52 -36.86 76.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.977 0.418 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -63.17 -33.31 75.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.216 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.676 ' O ' HG13 ' A' ' 61' ' ' ILE . 57.5 mt -71.95 -47.32 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.72 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.507 HG21 ' O ' ' A' ' 55' ' ' ALA . 4.0 m -55.52 -34.25 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.629 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.539 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -68.86 -41.77 77.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.505 178.568 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.55 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 8.0 t60 -70.25 -44.76 67.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.856 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.676 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.5 mt -57.75 -44.1 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.58 -37.36 86.43 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.946 -179.412 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.504 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.41 -44.31 19.53 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 15.9 mm-40 -93.8 -17.27 23.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.24 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.613 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.5 m-70 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.69 0.281 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.559 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -93.12 139.09 30.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.441 0.639 . . . . 0.0 111.111 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.52 113.05 25.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.388 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HB2' HD22 ' A' ' 20' ' ' LEU . 2.3 t -59.0 125.85 25.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 15.73 5.37 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.423 ' CE2' HD21 ' A' ' 24' ' ' LEU . 15.3 m95 -82.7 131.67 35.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 110.289 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -37.95 80.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.585 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -87.32 9.97 18.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.765 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 t -109.37 122.17 40.35 Favored Pre-proline 0 C--N 1.331 -0.211 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.544 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -101.96 15.23 0.33 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.56 2.84 . . . . 0.0 112.807 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -110.75 143.44 41.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.054 0.454 . . . . 0.0 111.933 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.5 p -116.09 163.14 16.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.652 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.49 156.36 21.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.398 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.7 p -92.7 -22.93 19.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.262 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -141.28 157.54 45.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.444 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 9.7 tp -50.94 -37.41 44.13 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.028 0.442 . . . . 0.0 110.862 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -68.51 -34.47 75.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.219 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 23' ' ' HIS . 7.3 m-20 -59.21 -45.08 92.04 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -63.5 -44.32 94.68 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 120.139 -0.625 . . . . 0.0 110.594 179.554 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.494 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 3.8 tt0 -57.98 -49.73 75.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -68.21 -46.38 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.444 -179.498 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -59.06 -34.74 72.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.603 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -70.0 -49.36 52.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.759 -179.596 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -62.46 -44.76 95.63 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.803 -179.034 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -79.37 -42.01 26.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 t70 -84.09 -41.6 16.97 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -177.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.603 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 95.5 m-70 -93.09 -2.32 55.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 25' ' ' LEU . 7.7 m -157.37 91.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.274 0.559 . . . . 0.0 111.886 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.9 t -64.68 -19.59 65.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.039 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 80.07 84.94 0.05 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.77 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -63.07 -21.57 66.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.272 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 1.3 m-85 73.59 -57.24 0.63 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.226 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.47 80.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.796 0.332 . . . . 0.0 110.974 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' PHE . 74.9 m80 -96.24 139.34 21.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.65 -48.81 15.35 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.559 2.173 . . . . 0.0 112.062 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mtm -108.35 -73.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.655 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 39' ' ' PRO . 2.3 mt-10 171.34 -54.16 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.453 ' HD3' ' CB ' ' A' ' 38' ' ' GLU . 38.3 Cg_exo -60.78 154.28 56.66 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.501 2.134 . . . . 0.0 112.485 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -116.6 149.27 39.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.55 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -117.36 151.95 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.536 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.0 t -60.77 142.55 55.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.587 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -109.44 38.25 2.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.41 148.24 22.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.861 0.363 . . . . 0.0 110.267 178.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.29 -50.15 67.97 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -101.33 -26.19 13.7 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 12.7 t -70.12 138.65 52.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.084 0.469 . . . . 0.0 111.93 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -117.16 27.82 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.035 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.612 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 41.0 t80 -63.94 142.77 58.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.314 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.2 tt -140.18 136.98 34.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.786 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.87 168.88 21.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.71 -28.98 30.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -141.04 169.82 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -46.24 88.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.472 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.4 -36.96 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -59.82 -33.52 71.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.644 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.635 ' O ' HG13 ' A' ' 61' ' ' ILE . 34.3 mt -71.45 -42.97 73.05 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.534 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.529 HG22 ' N ' ' A' ' 59' ' ' ASN . 1.7 m -55.5 -34.41 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.113 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.3 -41.01 77.34 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.245 178.294 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.612 ' CD2' ' CD2' ' A' ' 49' ' ' PHE . 17.4 t60 -70.18 -43.61 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.801 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.635 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.6 mt -57.64 -45.61 86.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.88 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.77 -37.6 86.76 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.096 -179.449 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.37 -45.5 17.64 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.78 -16.2 23.19 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.556 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 90.6 m-70 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 15' ' ' SER . 18.5 t0 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.715 0.293 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 5.8 tp -111.14 129.26 55.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.547 0.689 . . . . 0.0 111.223 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -110.63 113.66 26.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.799 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.18 125.16 22.03 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -100.39 28.69 4.83 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.434 ' CZ2' ' HB3' ' A' ' 28' ' ' HIS . 7.9 m95 -82.24 131.63 35.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -64.69 -40.67 95.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.595 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -86.98 5.66 36.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.699 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 36.0 t -109.67 122.58 38.84 Favored Pre-proline 0 C--N 1.332 -0.187 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -101.26 34.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.49 2.794 . . . . 0.0 112.423 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.92 143.45 48.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.104 0.478 . . . . 0.0 111.882 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 p -115.06 163.94 14.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.558 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 3' ' ' LEU . . . -110.14 156.34 20.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER -91.35 -26.65 18.81 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.55 165.16 28.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 111.408 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 11.9 tp -52.83 -36.79 59.21 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 121.255 0.55 . . . . 0.0 110.264 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -70.74 -34.71 72.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.09 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 43.2 t0 -59.44 -45.46 91.5 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.657 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -67.87 -42.43 81.3 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.312 179.298 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 7.3 tt0 -57.99 -48.41 80.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -39.52 77.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.438 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.6 t60 -69.33 -47.19 65.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.63 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.6 OUTLIER -69.3 -43.83 73.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.265 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -66.15 -46.0 79.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.74 0.305 . . . . 0.0 111.726 -178.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -79.09 -41.95 27.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 5.2 t70 -84.15 -45.44 12.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.63 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.2 m-70 -91.74 5.92 47.94 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.549 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 41.4 t -135.69 96.02 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-O 121.617 0.722 . . . . 0.0 111.647 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.0 t -61.5 -19.48 62.12 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.883 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 80.5 -179.67 0.09 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 2.6 m-20 -62.72 -38.08 89.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.351 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.1 t80 68.1 -67.27 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.54 33.85 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' A' ' 32' ' ' ASP . 2.5 m-70 -83.73 139.17 40.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.97 -45.0 1.62 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.543 2.162 . . . . 0.0 112.239 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.0 mtt -163.62 76.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.95 104.76 35.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.69 154.49 25.53 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.528 2.152 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -91.61 111.01 22.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.71 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -108.81 152.86 24.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.891 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.602 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 3.5 t -60.05 142.49 53.95 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.772 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.404 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -112.35 40.86 2.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.125 -178.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.423 ' CZ3' HG21 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.31 148.19 22.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.368 179.124 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -50.94 58.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.23 -26.14 13.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 t -68.76 136.81 53.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.129 0.49 . . . . 0.0 111.819 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.69 25.08 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.146 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.602 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 33.2 t80 -63.9 142.32 58.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.182 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -133.49 141.27 47.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.908 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.8 169.12 22.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.396 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -93.29 -31.99 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -134.7 169.13 17.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.404 ' HA ' HD21 ' A' ' 40' ' ' LEU . 42.3 p -60.82 -36.93 80.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.534 ' HA ' HG22 ' A' ' 58' ' ' VAL . . . -67.06 -36.29 81.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.313 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -33.73 72.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.721 ' O ' HG13 ' A' ' 61' ' ' ILE . 34.4 mt -72.45 -48.73 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 55' ' ' ALA . 35.7 m -55.82 -34.64 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.586 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -66.32 -41.71 89.26 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.374 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.539 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 7.4 t60 -70.76 -44.02 67.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.798 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.721 HG13 ' O ' ' A' ' 57' ' ' ILE . 1.7 mt -61.2 -43.56 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.94 -38.48 88.74 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.858 -179.619 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.491 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.39 -44.86 18.68 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -19.45 20.76 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.613 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 95.6 m-70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.707 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.651 0.262 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.569 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -86.32 138.21 32.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.422 0.63 . . . . 0.0 110.866 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -110.91 113.23 25.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.556 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.5 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 2.0 t -59.23 125.25 22.86 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 7.08 29.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CZ2' HD21 ' A' ' 24' ' ' LEU . 15.1 m95 -73.05 131.52 42.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.137 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -70.21 -36.85 74.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.353 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -87.08 7.56 27.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.602 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.1 t -109.34 122.4 39.7 Favored Pre-proline 0 C--N 1.331 -0.203 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.538 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -100.83 18.06 0.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.531 2.821 . . . . 0.0 112.595 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.65 143.3 41.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.063 0.458 . . . . 0.0 111.8 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -113.42 163.47 14.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.659 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 3' ' ' LEU . . . -110.61 156.17 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.077 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.8 p -95.87 -28.13 14.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.593 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -141.43 160.01 41.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.305 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.5 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 34.5 tp -50.74 -35.73 32.96 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.191 0.52 . . . . 0.0 110.304 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -70.27 -33.85 72.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.302 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 9.0 t70 -58.9 -44.81 91.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.716 -178.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 1.1 tp -58.82 -46.55 87.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.421 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 8.1 tt0 -60.08 -48.93 79.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.332 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.467 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.37 -46.18 89.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.037 0.446 . . . . 0.0 110.947 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.462 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.3 t60 -69.96 -45.5 67.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.249 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.727 ' HA ' ' HD2' ' A' ' 28' ' ' HIS . 0.6 OUTLIER -69.71 -47.72 62.12 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.541 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -65.41 -44.51 87.17 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -177.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.508 ' HG2' ' CD2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -79.1 -41.15 29.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 6.2 t0 -83.07 -42.01 17.95 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -176.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.727 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 92.9 m-70 -89.2 5.84 42.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 97.0 t -125.37 93.93 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.028 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -73.35 -29.77 62.88 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.314 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -56.93 96.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.019 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.08 -35.47 18.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -59.9 145.13 46.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -103.01 79.32 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -82.91 125.7 74.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.5 -27.45 7.65 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.459 2.106 . . . . 0.0 112.432 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -98.19 36.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -150.26 86.22 5.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.73 154.44 25.97 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.609 2.206 . . . . 0.0 112.474 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -91.65 118.92 31.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.713 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -112.78 151.84 29.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.735 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -61.14 142.75 56.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.922 179.743 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -106.3 35.03 3.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.539 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.476 ' CH2' ' CG ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.36 148.54 22.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.752 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -54.99 -50.75 68.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.341 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -101.34 -26.27 13.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.9 t -67.58 134.41 51.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.076 0.465 . . . . 0.0 111.732 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -114.32 24.81 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.202 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 15.0 t80 -63.94 142.19 58.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.211 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 33.5 tp -139.7 143.82 37.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.78 169.06 23.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.415 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.24 -28.87 47.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.717 0.294 . . . . 0.0 111.264 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.19 178.29 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 p -60.57 -31.01 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -64.44 -36.4 84.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.06 -33.75 76.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.485 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.751 ' O ' HG13 ' A' ' 61' ' ' ILE . 81.1 mt -72.64 -48.32 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 55' ' ' ALA . 10.1 m -55.95 -37.5 48.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.984 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.2 t30 -69.95 -43.74 70.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.545 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 13.1 t60 -70.09 -47.3 62.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.621 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.751 HG13 ' O ' ' A' ' 57' ' ' ILE . 3.2 mt -57.7 -43.06 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.54 -37.84 87.88 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.668 -179.72 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.78 -44.3 18.79 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.453 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 14.3 mm-40 -93.57 -15.79 25.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.137 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.634 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 86.9 m-70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.79 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 tttt . . . . . 0 N--CA 1.463 0.197 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.838 ' HB2' HD21 ' A' ' 20' ' ' LEU . 5.6 t -59.28 125.28 22.96 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.04 23.77 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.713 ' NE1' HD21 ' A' ' 24' ' ' LEU . 9.5 m95 -83.12 131.7 35.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.808 0.337 . . . . 0.0 110.302 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -40.23 94.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.558 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -87.07 4.66 41.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.953 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 22.7 t -109.38 122.09 40.58 Favored Pre-proline 0 C--N 1.332 -0.185 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.673 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.7 Cg_endo -102.08 19.15 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.588 2.858 . . . . 0.0 112.511 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -112.14 143.39 43.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.099 0.476 . . . . 0.0 111.823 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.8 p -114.18 163.54 15.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.625 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.93 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.63 156.03 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -92.27 -25.46 18.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.467 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.46 157.44 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.696 0.284 . . . . 0.0 111.058 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.45 -36.0 31.33 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.243 0.544 . . . . 0.0 110.073 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.32 -33.62 71.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.716 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.93 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 17.1 t0 -58.43 -44.9 89.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.186 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.897 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.65 -39.39 80.73 Favored 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.877 179.583 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 7.8 tt0 -57.54 -48.26 79.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.591 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -72.29 -35.39 68.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.557 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.5 t60 -69.12 -47.56 64.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.897 HD12 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.3 -42.4 75.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.876 0.37 . . . . 0.0 111.599 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -66.31 -46.6 76.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.676 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -80.08 -41.81 24.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 15.9 t70 -83.76 -45.2 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -176.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.871 ' HB2' HD23 ' A' ' 24' ' ' LEU . 57.7 m80 . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.885 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.856 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -127.21 152.74 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.624 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -60.08 142.45 54.09 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.485 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.2 m120 -107.55 35.11 3.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.262 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.45 148.22 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.444 179.008 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -57.52 -46.65 83.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -101.05 -20.3 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.4 t -78.07 138.44 38.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.175 0.512 . . . . 0.0 112.02 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.63 22.67 12.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.097 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 23.0 t80 -63.89 142.39 58.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.046 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.856 HD12 ' HB2' ' A' ' 41' ' ' ALA . 3.8 tp -139.43 143.11 37.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.95 169.0 24.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.82 -32.04 31.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.22 166.53 24.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.707 ' O ' HG13 ' A' ' 58' ' ' VAL . 2.9 t -60.17 -33.9 72.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -64.2 -36.87 85.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.0 m -63.78 -33.64 76.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.885 HD11 ' HB3' ' A' ' 40' ' ' LEU . 42.4 mt -72.53 -47.73 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.832 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.1 m -55.29 -34.64 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.625 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.552 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 14.3 t-20 -68.92 -41.23 78.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.521 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 7.5 t60 -70.48 -43.92 68.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.913 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.821 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.77 -44.38 85.87 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.78 -37.08 85.35 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.089 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.59 -44.34 19.13 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.501 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 71.0 mm-40 -93.82 -18.8 21.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.21 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 61' ' ' ILE . 44.6 m80 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.192 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.86 ' HA ' HD21 ' A' ' 20' ' ' LEU . 5.4 t -59.75 125.86 25.31 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 10.52 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.601 ' HE1' HD21 ' A' ' 24' ' ' LEU . 13.1 m95 -81.31 131.7 35.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.333 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -70.76 -39.89 72.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.665 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.08 12.21 11.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.6 t -109.4 122.63 38.95 Favored Pre-proline 0 CA--C 1.531 0.214 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.469 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 52.3 Cg_endo -99.74 18.58 0.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 123.385 2.723 . . . . 0.0 112.772 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -114.07 143.27 45.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.977 0.418 . . . . 0.0 111.58 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -115.15 162.99 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.894 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.805 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -112.81 157.4 21.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -91.28 -34.07 15.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.8 t -141.17 170.38 15.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.863 0.363 . . . . 0.0 111.523 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 tp -50.35 -40.47 49.28 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.672 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -35.34 73.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.964 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.805 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 6.3 t70 -62.7 -45.26 93.56 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.86 HD21 ' HA ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -63.33 -41.11 98.86 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.455 179.378 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.515 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 3.5 tt0 -66.12 -50.33 64.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.1 -46.4 89.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.439 . . . . 0.0 110.513 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.2 t60 -62.22 -34.11 75.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.833 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.825 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -69.56 -48.7 59.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.848 -179.664 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.554 HD12 ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.1 -44.83 83.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.627 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HG2' HD12 ' A' ' 25' ' ' LEU . 13.9 mttt -78.71 -41.71 30.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 18.1 t0 -83.37 -43.6 15.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.508 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.4 m-70 . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.003 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 121.053 0.454 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -118.45 153.03 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.908 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.58 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 4.0 t -59.51 142.52 52.37 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -106.99 38.72 2.03 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.55 148.29 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.934 0.397 . . . . 0.0 110.262 178.718 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -50.79 -52.3 42.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -101.31 -26.16 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.0 t -64.98 137.46 57.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.206 0.527 . . . . 0.0 112.048 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -117.02 25.21 10.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.035 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.58 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 40.0 t80 -63.79 142.8 58.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.259 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.2 tp -134.46 143.02 47.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.28 163.66 25.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.598 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.55 -30.24 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.702 0.286 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.801 ' C ' HD11 ' A' ' 40' ' ' LEU . 15.6 m-20 -133.77 166.5 22.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.517 ' N ' HD11 ' A' ' 40' ' ' LEU . 2.8 p -57.33 -49.06 77.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.681 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.8 -36.12 71.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -57.45 -36.54 71.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.713 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 1.003 ' CD1' HD12 ' A' ' 40' ' ' LEU . 78.8 mt -72.58 -47.77 49.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.647 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.2 m -55.86 -37.15 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.621 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 17.2 t-20 -65.25 -42.56 93.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.545 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 9.2 t60 -70.17 -43.15 71.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.812 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.825 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.85 -44.17 85.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -65.64 -37.59 86.99 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.019 -179.45 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.65 -44.48 18.77 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.496 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 22.1 mm-40 -94.0 -15.56 24.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.205 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 61' ' ' ILE . 43.2 m80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.084 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.32 125.27 22.93 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.53 0.84 28.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.662 ' HE1' HD11 ' A' ' 24' ' ' LEU . 15.2 m95 -72.93 131.65 42.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.247 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -38.3 70.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.75 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -86.38 9.96 16.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.832 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.7 t -109.51 122.67 38.71 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 120.583 0.23 . . . . 0.0 111.447 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 52.0 Cg_endo -99.5 13.48 0.58 Allowed 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.399 2.733 . . . . 0.0 112.792 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.66 143.3 34.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.95 0.405 . . . . 0.0 111.667 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 t -115.53 163.15 16.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.913 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.847 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -111.72 156.85 21.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.068 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -89.38 -34.15 16.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.585 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 m -141.29 170.09 16.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.099 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -50.62 -35.55 30.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.988 0.423 . . . . 0.0 110.776 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -70.28 -35.36 73.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.991 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.847 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -59.83 -45.58 91.94 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.501 -179.036 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.505 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -63.09 -46.19 88.55 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.004 178.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.409 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -63.24 -43.34 98.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.23 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -70.79 -45.89 63.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.4 t60 -65.44 -47.08 77.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.051 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.944 HD13 HG21 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -64.02 -41.76 97.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.226 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.061 HD12 HG11 ' A' ' 58' ' ' VAL . 1.4 tt -66.33 -46.52 76.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.889 0.376 . . . . 0.0 111.597 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -79.18 -40.72 30.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 10.5 t70 -83.38 -45.39 13.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.824 ' HB2' HD23 ' A' ' 24' ' ' LEU . 68.6 m80 . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.794 ' CD2' HG22 ' A' ' 54' ' ' THR . 5.6 tp . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.839 0.352 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -102.97 151.37 22.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.278 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.586 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.2 t -61.4 142.81 56.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.852 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -108.33 37.67 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.599 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.46 148.31 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.352 178.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -50.92 -53.62 31.23 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.41 -26.23 13.66 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.2 t -65.29 137.57 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.101 0.477 . . . . 0.0 111.82 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.29 28.11 8.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.08 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 28.2 t80 -63.84 142.83 58.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.329 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 15.8 tp -136.28 137.99 41.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.71 169.09 22.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.23 -30.4 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 111.117 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.12 -174.69 4.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.047 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.794 HG22 ' CD2' ' A' ' 40' ' ' LEU . 41.4 p -66.02 -40.62 91.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.75 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -59.98 -36.6 77.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -64.82 -32.71 74.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.36 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.79 HD11 ' HB3' ' A' ' 40' ' ' LEU . 73.3 mt -71.67 -47.7 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 1.061 HG11 HD12 ' A' ' 25' ' ' LEU . 24.7 m -55.22 -34.35 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.939 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.561 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 13.1 t-20 -69.13 -43.13 74.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.586 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 15.5 t60 -70.44 -42.11 71.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.88 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.944 HG21 HD13 ' A' ' 24' ' ' LEU . 2.1 mt -60.22 -45.68 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.949 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -66.1 -37.29 85.39 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.062 -179.404 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.76 -44.48 18.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 15.1 mm100 -93.95 -18.79 21.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.369 -178.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 61' ' ' ILE . 45.9 m80 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.01 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.4 tttt . . . . . 0 N--CA 1.463 0.207 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.468 ' CB ' HD11 ' A' ' 20' ' ' LEU . 10.7 t -57.73 125.34 22.57 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -100.46 25.93 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.775 ' NE1' HD21 ' A' ' 24' ' ' LEU . 11.6 m95 -83.26 131.71 35.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.801 0.334 . . . . 0.0 110.614 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -66.72 -36.99 83.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 3.1 47.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.724 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 7' ' ' TRP . 11.5 t -109.32 122.4 39.71 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-O 120.612 0.244 . . . . 0.0 111.374 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 50.1 Cg_endo -100.14 34.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.348 2.699 . . . . 0.0 112.529 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.23 143.28 40.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.011 0.434 . . . . 0.0 111.677 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.2 p -121.32 163.4 18.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.506 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.783 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -110.64 155.32 22.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -13.02 23.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.3 m -142.37 154.6 44.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.703 0.287 . . . . 0.0 111.36 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.867 HD11 ' OD1' ' A' ' 62' ' ' ASN . 10.9 tp -52.1 -35.28 47.42 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.292 0.568 . . . . 0.0 110.392 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.91 -34.66 71.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.19 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.783 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 31.0 m-20 -59.35 -45.37 91.57 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -178.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.714 ' HG ' HD12 ' A' ' 24' ' ' LEU . 16.4 tp -72.09 -38.64 69.32 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.534 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HG2' HG21 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -56.29 -48.33 76.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 109.95 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -36.05 66.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 t60 -69.62 -47.67 62.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.362 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.026 HD13 HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -69.33 -49.14 58.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.989 0.423 . . . . 0.0 111.615 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -45.81 89.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.888 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -42.2 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 4.2 t0 -84.79 -46.3 11.51 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.678 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.1 m-70 . . . . . 0 C--N 1.33 -0.248 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.755 ' HB3' HG21 ' A' ' 57' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.9 0.381 . . . . 0.0 111.085 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' N ' HD13 ' A' ' 40' ' ' LEU . . . -105.02 151.71 23.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.836 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 142.42 55.61 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.416 -0.586 . . . . 0.0 109.416 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.477 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.5 m120 -107.94 35.48 3.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.049 -177.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.657 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -94.59 148.34 22.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.032 0.444 . . . . 0.0 110.788 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -50.28 66.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.426 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.2 -26.19 13.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 5.8 t -67.07 133.95 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.482 . . . . 0.0 111.717 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.67 20.61 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.242 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 60' ' ' HIS . 11.0 t80 -63.98 142.67 58.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.262 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.903 HD22 ' N ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -134.74 139.06 44.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.073 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.903 ' N ' HD22 ' A' ' 50' ' ' LEU . . . -129.45 152.69 19.62 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.616 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -72.9 -32.13 65.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.699 0.285 . . . . 0.0 111.507 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.786 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -139.18 156.66 46.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.761 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.453 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 67.6 p -53.04 -38.23 62.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.822 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.49 ' HA ' HG12 ' A' ' 58' ' ' VAL . . . -68.2 -35.49 78.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.509 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 m -72.06 -42.78 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.034 0.445 . . . . 0.0 110.227 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.786 HG22 ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -68.85 -48.04 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.348 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.504 HG21 ' HG2' ' A' ' 21' ' ' GLN . 11.7 p -55.66 -34.74 36.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 121.012 0.434 . . . . 0.0 109.906 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.48 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 15.9 t-20 -58.18 -39.8 79.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 49' ' ' PHE . 4.0 t60 -70.88 -39.5 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.59 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.026 HG21 HD13 ' A' ' 24' ' ' LEU . 3.7 mt -60.16 -43.68 93.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.873 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.867 ' OD1' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.89 -40.0 91.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.199 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.501 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.11 -43.56 21.5 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' A' ' 60' ' ' HIS . 8.9 mp0 -92.58 -12.77 30.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.065 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 61' ' ' ILE . 35.8 m80 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.719 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt . . . . . 0 N--CA 1.463 0.199 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.662 ' HA ' HD11 ' A' ' 20' ' ' LEU . 15.1 t -57.83 125.17 21.88 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.21 23.55 12.24 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.581 ' CE3' ' CD2' ' A' ' 28' ' ' HIS . 8.9 m95 -72.93 131.58 42.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -41.79 98.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.536 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.95 6.55 31.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.756 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 19.7 t -109.53 122.53 39.12 Favored Pre-proline 0 C--N 1.332 -0.178 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 48.2 Cg_endo -101.4 37.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.563 2.842 . . . . 0.0 112.538 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -141.02 143.45 34.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.0 111.699 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -120.3 163.27 18.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.657 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.895 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.59 156.43 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.8 -21.78 20.49 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.33 170.09 16.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.606 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 62' ' ' ASN . 5.7 tp -54.41 -41.84 69.77 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -70.39 -34.61 72.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.273 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.895 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -59.46 -46.67 88.1 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.798 -178.334 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.76 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -74.37 -41.37 61.11 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.651 178.275 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -57.93 -47.15 83.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.622 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.576 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -69.66 -39.64 76.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.594 179.789 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.8 t60 -70.06 -43.98 70.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.037 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.879 HD13 HG21 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -69.83 -48.87 57.33 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -178.015 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.576 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -64.73 -44.13 91.15 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.83 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HG2' ' CD2' ' A' ' 25' ' ' LEU . 25.6 mmtt -78.62 -41.57 31.26 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 4.9 t70 -83.24 -45.87 13.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.807 ' HB2' HD23 ' A' ' 24' ' ' LEU . 58.4 m80 . . . . . 0 C--N 1.328 -0.355 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.868 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 121.027 0.441 . . . . 0.0 110.549 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -112.26 152.8 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.0 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.599 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 3.5 t -59.99 142.42 53.91 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.474 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 5.8 m120 -110.36 38.49 2.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.236 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.457 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.38 148.14 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.285 178.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -46.1 83.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -101.23 -26.05 13.78 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 9.7 t -72.48 140.05 48.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.105 0.479 . . . . 0.0 111.892 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.41 25.36 10.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.192 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.599 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 38.6 t80 -63.94 142.39 58.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.119 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.9 tt -138.7 139.99 38.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.9 169.21 23.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -90.55 -32.08 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.45 165.66 22.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.036 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.762 ' HA ' HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -61.29 -44.49 97.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.782 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.739 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -58.32 -36.57 73.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -33.86 72.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.703 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.868 ' CD1' HD22 ' A' ' 40' ' ' LEU . 79.5 mt -72.52 -47.83 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.718 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.0 m -55.82 -34.68 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.749 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 16.8 t-20 -68.01 -41.49 82.12 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.555 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 8.6 t60 -70.39 -44.14 68.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.823 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.879 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.65 -44.33 85.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.082 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.558 ' HB2' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.62 -37.59 87.02 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.979 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.3 -45.18 18.3 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.35 -16.27 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.64 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.5 m-70 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.743 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.844 ' HB2' HD21 ' A' ' 20' ' ' LEU . 3.4 t -58.95 125.34 23.17 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -94.42 22.55 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.563 ' CE3' ' CD2' ' A' ' 28' ' ' HIS . 15.2 m95 -83.15 131.8 35.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.331 . . . . 0.0 110.327 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -66.76 -39.81 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.346 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.09 7.73 26.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.823 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 29.2 t -109.44 122.39 39.62 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.483 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.6 Cg_endo -101.16 22.97 0.17 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.516 2.811 . . . . 0.0 112.697 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.71 143.33 49.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.991 0.424 . . . . 0.0 111.793 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -119.8 163.12 17.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.548 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.757 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.87 156.0 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.334 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.7 p -96.12 -18.72 19.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.411 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 m -141.13 154.11 45.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 110.794 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.62 -35.11 28.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.155 0.503 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -34.09 72.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.224 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.757 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -58.96 -44.94 91.56 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.133 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.95 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -70.14 -39.89 75.13 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.227 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -57.8 -48.01 80.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.603 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 5.8 ttt85 -70.1 -39.52 75.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.718 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.467 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.6 t60 -69.14 -47.44 65.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.95 HD12 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -66.25 -44.83 82.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.957 0.408 . . . . 0.0 111.741 -179.418 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.44 -45.94 78.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.723 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 6.9 mmpt? -79.55 -41.4 27.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 15.0 t0 -83.43 -45.54 13.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -177.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.563 ' CD2' ' CE3' ' A' ' 7' ' ' TRP . 66.9 m80 . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.92 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.855 0.359 . . . . 0.0 110.467 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.528 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -112.68 151.85 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.929 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.7 t -61.08 142.86 56.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.538 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.439 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.3 m120 -105.79 36.34 2.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.92 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.31 148.14 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.283 178.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.55 -52.69 45.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.37 -26.14 13.71 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.1 t -64.15 139.68 58.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.184 0.516 . . . . 0.0 111.975 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -120.31 24.43 10.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.193 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.551 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 19.1 t80 -63.79 142.52 58.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -136.32 145.0 44.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.997 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.27 169.12 24.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -81.8 -31.82 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.28 170.73 15.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.079 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.496 ' HA ' HD12 ' A' ' 57' ' ' ILE . 3.6 m -61.07 -40.73 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.929 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -58.39 -39.82 80.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.788 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t -59.67 -33.12 71.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.445 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.92 HD11 ' HB3' ' A' ' 40' ' ' LEU . 50.7 mt -71.34 -46.51 64.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.352 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.929 HG22 ' O ' ' A' ' 55' ' ' ALA . 4.3 m -55.2 -34.4 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.585 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 12.6 t-20 -69.09 -41.55 77.33 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.551 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 9.0 t60 -70.64 -43.05 70.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.736 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.926 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.88 -45.49 87.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.957 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.81 -36.8 84.53 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.124 -179.265 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.493 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.49 -44.66 18.81 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.508 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 51.4 mm-40 -94.13 -18.81 21.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.312 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' A' ' 61' ' ' ILE . 44.0 m80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt . . . . . 0 N--CA 1.462 0.162 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.702 ' CA ' HD21 ' A' ' 20' ' ' LEU . 7.5 t -58.99 125.21 22.64 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -95.91 23.35 6.43 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.74 ' NE1' HD21 ' A' ' 24' ' ' LEU . 9.1 m95 -82.14 131.76 35.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.814 0.34 . . . . 0.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -39.51 90.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.536 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.06 3.72 44.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.893 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 31.3 t -109.57 122.37 39.57 Favored Pre-proline 0 C--N 1.332 -0.186 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.736 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.6 Cg_endo -101.41 21.44 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.568 2.845 . . . . 0.0 112.518 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.28 143.42 44.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.079 0.466 . . . . 0.0 111.895 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -114.97 163.68 15.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.51 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.931 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.49 156.29 21.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.224 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.41 -25.72 18.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.47 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.59 158.42 43.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.004 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.62 -43.0 56.77 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.128 0.489 . . . . 0.0 110.289 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -62.52 -33.62 75.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.634 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.931 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 22.8 t0 -58.57 -44.97 89.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.99 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.896 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -62.76 -43.42 98.84 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.842 179.476 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 9.7 tt0 -57.75 -48.19 80.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -71.99 -36.89 69.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.668 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 3.5 t60 -69.21 -47.53 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.977 HD13 HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -69.33 -48.48 61.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.369 . . . . 0.0 111.53 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.14 -45.44 91.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.359 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -42.19 27.03 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 3.3 t0 -84.41 -46.32 11.82 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.915 ' HB2' HD23 ' A' ' 24' ' ' LEU . 61.6 m80 . . . . . 0 C--N 1.329 -0.323 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.879 HD12 HG22 ' A' ' 54' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.952 0.406 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.501 ' H ' HD23 ' A' ' 40' ' ' LEU . . . -114.44 152.41 31.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.627 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.42 142.64 54.76 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.453 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.4 m120 -106.82 35.33 3.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.073 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.39 148.1 22.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.478 179.076 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -47.86 77.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.477 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.3 -26.1 13.74 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 7.9 t -68.95 136.66 52.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.127 0.489 . . . . 0.0 111.969 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -115.9 22.53 12.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.173 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 25.1 t80 -64.02 142.3 58.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.254 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 1.7 pp -138.36 141.13 39.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.861 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.97 169.1 21.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.68 -31.81 22.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -137.43 169.63 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.879 HG22 HD12 ' A' ' 40' ' ' LEU . 37.3 p -60.66 -34.95 75.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.871 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -66.98 -37.35 84.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 m -57.96 -33.6 69.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.517 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.761 HD12 HD13 ' A' ' 40' ' ' LEU . 90.5 mt -71.74 -46.57 61.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.254 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.0 m -55.17 -34.33 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 12.7 t-20 -69.67 -45.18 68.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.869 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.538 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 9.6 t60 -70.08 -44.67 68.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.977 HG21 HD13 ' A' ' 24' ' ' LEU . 2.5 mt -57.72 -44.78 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.79 -36.37 83.34 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.782 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.515 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.59 -44.8 18.38 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.484 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 57.6 mm-40 -94.18 -16.95 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.181 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 61' ' ' ILE . 42.1 m80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HE3' ' CE ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.212 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.806 ' CB ' HD21 ' A' ' 20' ' ' LEU . 1.8 t -58.93 125.19 22.56 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' CE ' ' HE3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -94.8 23.52 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.698 -178.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.555 ' CE3' ' CD2' ' A' ' 28' ' ' HIS . 8.5 m95 -82.99 131.79 35.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -43.74 89.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.679 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.31 12.47 11.86 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.0 t -109.35 122.46 39.49 Favored Pre-proline 0 C--N 1.332 -0.19 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.629 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 53.1 Cg_endo -101.14 25.97 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.456 2.771 . . . . 0.0 112.591 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.48 143.35 51.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.056 0.455 . . . . 0.0 111.755 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -118.32 163.31 16.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.616 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.926 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.72 155.84 21.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.254 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.1 -19.9 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.482 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.27 155.19 46.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tp -50.45 -35.53 29.2 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.158 0.504 . . . . 0.0 110.229 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -70.38 -33.68 71.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.953 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.926 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 4.7 m-20 -58.62 -44.96 90.15 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.858 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -69.9 -41.24 74.95 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.048 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -57.8 -43.91 85.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.55 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.689 ' HA ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -72.25 -42.9 65.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.422 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -69.64 -40.76 76.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.763 -179.416 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.955 HD13 HG21 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -69.98 -49.21 53.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.724 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.78 HD23 ' H ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -63.92 -43.85 94.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.342 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.78 ' H ' HD23 ' A' ' 25' ' ' LEU . 9.7 ptpt -78.81 -41.72 29.55 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 t70 -83.97 -46.0 12.54 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.841 ' HB2' HD23 ' A' ' 24' ' ' LEU . 54.4 m80 . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.91 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 121.065 0.46 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -98.45 153.17 18.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.677 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 2.5 t -59.73 140.49 56.45 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.503 ' N ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -98.04 30.14 3.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.741 -177.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.647 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.55 148.54 22.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.107 0.479 . . . . 0.0 111.048 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.77 -49.7 75.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.619 -179.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -101.08 -26.29 13.75 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.8 t -65.87 134.63 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.967 0.413 . . . . 0.0 111.565 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.95 21.45 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.603 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 20.1 t80 -63.98 142.31 58.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.025 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.9 tt -135.37 151.68 50.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.039 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.3 169.17 26.99 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.07 -23.95 26.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.711 0.291 . . . . 0.0 111.262 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -150.57 169.69 20.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.512 ' HA ' HD13 ' A' ' 40' ' ' LEU . 1.9 t -58.43 -38.25 77.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.797 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.703 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -59.74 -36.52 76.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.2 m -64.46 -33.48 75.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.264 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.91 ' CD1' HD22 ' A' ' 40' ' ' LEU . 66.3 mt -72.42 -48.08 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.874 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 55' ' ' ALA . 4.8 m -55.61 -34.76 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.055 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.562 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 15.0 t-20 -69.22 -44.22 72.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.897 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 6.8 t60 -70.19 -44.08 69.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.049 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.955 HG21 HD13 ' A' ' 24' ' ' LEU . 2.8 mt -57.81 -44.06 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.146 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.88 -36.26 82.92 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.78 -179.736 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.52 -44.46 19.06 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 14.7 mm-40 -93.81 -18.31 22.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.135 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 61' ' ' ILE . 42.4 m80 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.763 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.7 t -57.84 125.15 21.81 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -99.58 26.52 6.07 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.821 ' NE1' HD21 ' A' ' 24' ' ' LEU . 7.7 m0 -82.95 131.66 35.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -63.28 -35.34 80.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.544 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.07 -7.87 57.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.743 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.571 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 33.6 t -109.38 122.35 39.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 51.1 Cg_endo -100.59 12.59 0.5 Allowed 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.422 2.748 . . . . 0.0 112.486 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.47 143.38 27.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.108 0.48 . . . . 0.0 111.896 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 p -118.47 163.43 16.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.353 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.946 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.62 149.93 29.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.901 0.382 . . . . 0.0 111.242 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -81.62 -25.52 35.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.368 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -141.73 168.06 20.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 62' ' ' ASN . 2.1 tp -54.22 -44.06 71.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.178 0.513 . . . . 0.0 110.453 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -65.13 -33.53 76.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.237 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.946 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 5.4 m-20 -58.22 -45.14 88.23 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' HD12 ' A' ' 24' ' ' LEU . 53.2 tp -73.25 -39.75 65.2 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.346 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -48.63 78.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.005 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -72.93 -32.81 65.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.597 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 2.9 t60 -69.41 -47.67 63.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.745 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.894 HD13 HG21 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -69.47 -41.05 76.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.37 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.59 -46.45 75.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.671 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -79.91 -42.03 24.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 31.6 t0 -83.77 -45.78 12.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.585 ' HB2' HD23 ' A' ' 24' ' ' LEU . 55.8 m80 . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.862 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.981 0.42 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.597 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -99.56 152.19 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.051 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 4.5 t -60.55 142.59 55.2 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.625 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.445 ' HB2' ' CZ2' ' A' ' 7' ' ' TRP . 5.7 m120 -108.82 39.12 2.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.097 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.34 148.28 22.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.336 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -53.97 28.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.35 -26.02 13.75 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.8 t -63.97 140.15 58.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.153 0.501 . . . . 0.0 111.913 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -118.99 25.96 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.33 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.583 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 36.0 t80 -63.91 142.57 58.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.144 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.597 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -133.83 140.88 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.05 169.03 23.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.422 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.2 -32.09 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -139.05 168.39 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.986 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.785 HG23 ' CD1' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -59.37 -33.7 71.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.824 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -66.78 -36.86 83.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.7 m -62.52 -33.47 74.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.862 ' CD1' HD22 ' A' ' 40' ' ' LEU . 80.1 mt -71.63 -47.16 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.582 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.824 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.2 m -55.15 -34.36 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.956 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.574 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 13.1 t-20 -69.54 -42.48 74.55 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.577 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 13.4 t60 -70.34 -44.05 68.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.003 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.894 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.89 -44.67 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.91 -37.48 86.19 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.033 -179.418 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.495 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.6 -44.62 18.64 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.512 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 13.6 mm100 -94.02 -17.86 22.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.249 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.7 m-70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.992 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.226 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.992 ' HA ' HD11 ' A' ' 20' ' ' LEU . 8.6 t -59.26 125.63 24.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -89.87 18.25 5.87 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -178.721 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.816 ' NE1' HD21 ' A' ' 24' ' ' LEU . 11.6 m95 -83.19 131.5 35.11 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.215 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -41.5 82.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.796 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -85.19 7.54 21.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.88 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 48.6 t -109.44 122.53 39.2 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.659 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 49.1 Cg_endo -101.18 21.38 0.2 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.536 2.824 . . . . 0.0 112.624 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -112.45 143.4 43.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.068 0.461 . . . . 0.0 111.933 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.4 p -117.13 163.45 16.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.547 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.907 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.65 156.05 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.279 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -93.01 -28.94 16.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.356 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -141.47 160.99 38.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.9 tp -50.68 -32.48 19.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.112 0.482 . . . . 0.0 110.336 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.11 -34.11 72.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.825 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.907 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 1.3 m-20 -58.91 -45.31 90.61 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.992 HD11 ' HA ' ' A' ' 5' ' ' CYS . 1.2 tp -61.15 -44.73 96.87 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.812 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 10.6 tt0 -57.7 -48.38 79.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.104 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 22' ' ' ARG . 12.4 ttp-105 -72.15 -36.81 69.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 t60 -69.25 -47.4 64.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.171 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.903 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -69.16 -44.03 73.08 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.158 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.12 -46.0 79.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.93 -178.659 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -79.51 -41.79 26.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 13.9 t0 -83.96 -45.38 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.644 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.4 m-70 . . . . . 0 C--N 1.327 -0.403 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.944 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.894 0.378 . . . . 0.0 110.756 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.836 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -126.76 151.97 47.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.956 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.553 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 2.5 t -60.46 142.7 54.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.627 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -108.2 35.77 3.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.44 148.1 22.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.359 . . . . 0.0 110.284 178.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -44.79 91.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.22 -26.17 13.74 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 12.6 t -74.71 138.11 42.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.14 0.495 . . . . 0.0 111.86 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.95 27.29 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.14 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 37.1 t80 -64.01 142.83 58.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.343 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.836 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.5 tp -140.17 138.53 35.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.813 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.24 169.08 21.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.603 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.34 -32.02 22.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.669 0.271 . . . . 0.0 110.991 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.57 ' OD2' ' HB3' ' A' ' 55' ' ' ALA . 9.0 p-10 -137.46 168.99 18.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.708 HG22 HD13 ' A' ' 40' ' ' LEU . 18.9 p -60.27 -39.32 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.855 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.0 -36.95 83.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -33.7 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.944 HD11 ' HB3' ' A' ' 40' ' ' LEU . 58.8 mt -71.93 -47.02 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.606 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.855 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.7 m -55.11 -34.74 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.532 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 14.1 t-20 -69.62 -42.3 74.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.581 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 18.0 t60 -70.22 -44.8 67.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.24 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.903 HG21 HD13 ' A' ' 24' ' ' LEU . 1.9 mt -57.88 -44.93 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.952 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.81 -37.72 87.02 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.02 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.504 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.29 -45.19 18.31 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.31 -16.43 23.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.066 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.623 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.9 m-70 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' CA ' HD12 ' A' ' 20' ' ' LEU . 50.3 t -59.15 124.98 21.75 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -106.85 35.66 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.772 ' NE1' HD21 ' A' ' 24' ' ' LEU . 5.5 m95 -78.98 131.72 36.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -44.25 77.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.719 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.34 4.7 41.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 7.5 t -109.33 122.34 39.88 Favored Pre-proline 0 C--N 1.331 -0.216 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.868 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.4 Cg_endo -102.15 31.8 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.595 2.863 . . . . 0.0 112.404 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -134.88 143.55 47.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.034 0.445 . . . . 0.0 111.691 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -122.93 163.9 19.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.464 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.834 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -109.51 156.1 20.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.344 . . . . 0.0 110.792 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.2 -12.74 27.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -141.38 163.25 33.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.518 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.66 -39.73 74.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.237 0.542 . . . . 0.0 110.489 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -70.46 -34.5 72.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.529 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.834 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 1.2 m-20 -59.27 -45.31 91.57 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 61' ' ' ILE . 3.1 tt -69.69 -39.95 76.63 Favored 'General case' 0 CA--C 1.523 -0.061 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.3 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 20.1 tt0 -57.9 -48.63 79.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.789 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -33.97 67.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.513 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.433 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 3.8 t60 -69.03 -47.74 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.972 HD13 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -69.3 -41.05 77.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.527 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -66.58 -46.28 76.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.668 -179.259 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -79.33 -41.5 27.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 33.0 t0 -83.81 -45.62 13.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.66 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.5 m-70 . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.818 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 121.074 0.464 . . . . 0.0 110.49 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -103.72 152.72 21.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.01 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.7 t -60.23 142.44 54.51 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.493 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.3 m120 -107.79 37.77 2.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.765 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.4 148.31 22.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.167 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.91 -55.49 14.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.25 -25.29 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.9 t -63.85 139.96 58.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 0.0 111.837 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -119.65 24.62 10.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.378 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 21.3 t80 -63.77 142.87 58.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.005 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 2.6 tt -134.1 147.2 50.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.055 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -141.55 169.09 25.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.43 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -91.75 -32.13 15.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 111.076 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.6 166.4 23.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -59.64 -33.54 71.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.79 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.09 -36.66 82.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.5 m -60.56 -33.44 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.818 HD11 ' HB3' ' A' ' 40' ' ' LEU . 58.8 mt -72.21 -47.63 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 55' ' ' ALA . 10.2 m -55.8 -34.7 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.75 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.567 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 15.1 t-20 -68.4 -40.3 81.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.564 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 15.4 t60 -70.71 -44.55 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.857 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.972 HG21 HD13 ' A' ' 24' ' ' LEU . 1.5 mt -57.83 -45.01 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.43 -38.79 90.95 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.209 -179.083 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.5 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.6 -45.25 17.62 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.5 -18.23 21.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.588 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 94.3 m-70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.117 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.728 ' N ' HD21 ' A' ' 20' ' ' LEU . 13.1 t -58.25 125.04 21.54 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 6.75 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.674 ' NE1' HD21 ' A' ' 24' ' ' LEU . 12.9 m95 -74.94 131.61 40.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -33.54 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.735 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -87.14 2.94 48.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.515 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 42.4 t -109.52 122.7 38.64 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 54.4 Cg_endo -98.98 20.19 0.33 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.336 2.691 . . . . 0.0 112.646 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 143.42 34.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 0.0 111.803 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 p -117.45 163.21 16.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.714 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.895 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -112.46 156.32 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.392 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.48 -29.69 15.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.9 m -141.76 161.66 37.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.626 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 tp -50.78 -31.6 17.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.088 0.471 . . . . 0.0 110.358 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -70.2 -34.6 73.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.623 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.895 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 1.3 m-20 -59.21 -45.33 91.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.708 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.803 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -64.52 -45.74 85.88 Favored 'General case' 0 N--CA 1.458 -0.044 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.665 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 4.8 tt0 -57.93 -48.13 80.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.721 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -72.02 -35.86 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.7 t-80 -69.22 -47.71 64.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.006 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -67.55 -41.6 84.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.241 -179.526 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.811 HD23 ' N ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -66.34 -46.42 76.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.483 -179.31 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.811 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -79.23 -40.81 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.944 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 13.0 t0 -84.06 -45.96 12.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.914 ' HB2' HD23 ' A' ' 24' ' ' LEU . 95.0 m-70 . . . . . 0 C--N 1.328 -0.332 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.864 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.874 0.369 . . . . 0.0 110.815 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.834 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -117.98 152.04 36.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.639 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.4 t -60.52 142.47 55.25 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.409 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 5.8 m120 -108.53 35.92 3.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.512 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.6 148.25 22.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.503 178.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.7 -45.5 91.92 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -101.09 -26.19 13.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.5 t -73.13 140.05 46.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.058 0.456 . . . . 0.0 111.829 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.0 25.87 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.166 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.592 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 46.8 t80 -63.91 142.72 58.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.31 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -140.4 138.92 35.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.701 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.13 169.14 21.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.656 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -85.61 -31.47 22.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.775 0.321 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.61 173.93 11.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.993 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.791 HG22 ' CD1' ' A' ' 40' ' ' LEU . 56.9 p -64.54 -37.64 88.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.783 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.873 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.86 -36.93 84.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 p -60.47 -33.63 72.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.864 ' CD1' HD22 ' A' ' 40' ' ' LEU . 77.9 mt -71.6 -46.17 63.98 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.563 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.873 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.6 m -55.27 -34.62 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.555 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 12.2 t-20 -69.99 -41.76 73.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.272 0.558 . . . . 0.0 109.538 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.592 ' CD2' ' CD2' ' A' ' 49' ' ' PHE . 23.8 t60 -70.2 -45.08 67.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.244 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -58.3 -45.01 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.55 -38.78 90.58 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.986 -179.485 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.502 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.47 -45.38 17.65 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.51 -17.56 22.29 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 92.8 m-70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.75 ' N ' HD21 ' A' ' 20' ' ' LEU . 24.3 t -58.7 125.34 23.05 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.24 22.36 6.89 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.481 ' NE1' HD21 ' A' ' 24' ' ' LEU . 10.7 m95 -83.15 131.62 35.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.359 . . . . 0.0 110.213 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.2 -44.17 89.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.8 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.21 0.84 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.797 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 28.1 t -109.42 122.27 39.99 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 49.0 Cg_endo -101.06 20.73 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.531 2.82 . . . . 0.0 112.558 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.06 143.42 43.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.066 0.46 . . . . 0.0 111.782 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -121.48 163.48 18.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.584 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.721 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -110.53 156.15 21.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 111.187 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.23 -14.8 23.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.649 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 t -141.47 151.1 43.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.442 HD11 ' HB2' ' A' ' 62' ' ' ASN . 12.2 tp -51.05 -35.81 36.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.124 0.488 . . . . 0.0 110.431 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -70.18 -33.82 72.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.243 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.721 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 2.9 m-20 -58.57 -44.24 89.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.899 HD12 HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.58 -40.57 83.54 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.626 179.696 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.458 ' HG3' ' HB ' ' A' ' 58' ' ' VAL . 3.7 tt0 -59.95 -48.74 80.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.222 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -69.28 -38.66 78.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.002 0.43 . . . . 0.0 110.583 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.8 t60 -69.31 -47.27 64.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.93 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -69.35 -42.68 74.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.211 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.832 HD13 ' CG1' ' A' ' 58' ' ' VAL . 9.0 tp -66.49 -45.4 79.75 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.975 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -78.6 -41.56 31.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 7.6 t0 -83.8 -45.42 13.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.923 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.9 m-70 . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.867 ' HB3' HD11 ' A' ' 57' ' ' ILE . 2.1 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.864 0.364 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . . . -126.58 152.0 47.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.104 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.9 142.72 56.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.67 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -107.91 36.33 2.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.879 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.473 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.3 148.07 22.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.203 179.041 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -44.37 91.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -101.22 -26.06 13.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.7 t -73.96 139.85 45.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 0.0 112.039 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -120.36 25.05 10.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.052 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 17.7 t80 -63.91 142.57 58.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.291 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.573 ' CD1' ' HB2' ' A' ' 41' ' ' ALA . 10.1 tp -137.18 136.24 38.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.744 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.93 169.04 21.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.17 -32.12 61.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.303 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -149.01 171.98 15.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.814 ' OG1' HD11 ' A' ' 25' ' ' LEU . 2.3 t -57.08 -48.92 77.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.885 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -55.22 -37.0 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.911 0.386 . . . . 0.0 110.668 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -63.17 -33.36 75.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.912 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.867 HD11 ' HB3' ' A' ' 40' ' ' LEU . 58.0 mt -71.23 -44.7 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.071 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.885 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.3 m -55.2 -34.36 32.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.59 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.549 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 9.4 t-20 -67.69 -41.64 83.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.559 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 8.6 t60 -70.45 -43.01 70.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.753 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.93 HG21 HD13 ' A' ' 24' ' ' LEU . 1.7 mt -57.45 -45.55 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.825 -179.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.87 -36.65 84.01 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.054 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.17 -45.49 18.01 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.411 ' HB2' ' CE1' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -94.8 -17.86 21.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.18 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.633 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.8 m-70 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.827 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.129 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.945 ' HB2' HD21 ' A' ' 20' ' ' LEU . 1.7 t -58.85 125.18 22.48 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.449 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 11.3 tttp -90.08 11.88 19.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.586 ' CE3' ' CD2' ' A' ' 28' ' ' HIS . 15.9 m95 -73.01 131.74 42.52 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.221 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -38.28 87.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.205 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -87.23 6.09 34.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.935 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 15.2 t -109.24 122.05 40.82 Favored Pre-proline 0 CA--C 1.53 0.205 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.621 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 45.9 Cg_endo -101.65 11.87 0.43 Allowed 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.542 2.828 . . . . 0.0 112.575 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -103.6 143.32 32.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.015 0.436 . . . . 0.0 111.872 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.1 m -115.75 163.11 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.538 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.888 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -115.39 156.2 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.284 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.28 -23.72 18.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.221 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -141.15 159.14 42.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.773 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.717 HD21 ' OD1' ' A' ' 62' ' ' ASN . 3.2 tp -50.53 -39.47 49.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.2 0.524 . . . . 0.0 110.612 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -33.8 76.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.987 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.888 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 1.1 m-20 -58.49 -46.09 87.39 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.668 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.945 HD21 ' HB2' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -74.05 -39.24 63.63 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.404 178.704 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HG2' HG22 ' A' ' 58' ' ' VAL . 1.6 mt-30 -57.08 -48.67 78.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.74 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -72.98 -43.11 62.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.543 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.3 t60 -58.83 -40.56 84.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.444 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.912 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -64.61 -44.71 89.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.441 ' CD1' ' HB ' ' A' ' 58' ' ' VAL . 1.9 mp -66.39 -44.51 82.87 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.506 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -78.65 -41.37 31.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 12.1 t70 -83.1 -45.34 14.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.586 ' CD2' ' CE3' ' A' ' 7' ' ' TRP . 74.2 m80 . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.801 HD13 HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.041 0.448 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -84.93 152.11 23.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.027 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 1.2 t -60.42 142.34 55.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.474 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.5 m120 -109.61 35.97 3.14 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.092 -0.503 . . . . 0.0 112.013 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.693 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -94.52 148.35 22.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.061 0.458 . . . . 0.0 110.735 179.194 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -52.62 -51.87 58.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.76 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.23 -15.7 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 6.5 t -77.93 135.26 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.112 0.482 . . . . 0.0 111.937 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -113.37 16.74 18.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.298 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 12.2 t80 -63.86 143.11 58.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.55 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -137.32 139.4 40.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.02 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.07 156.4 21.19 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.391 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.7 -32.28 60.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.301 . . . . 0.0 111.576 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.745 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -136.37 154.53 50.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.899 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.801 HG22 HD13 ' A' ' 40' ' ' LEU . 18.8 p -53.39 -38.99 63.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -67.91 -35.39 78.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.354 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 2.8 m -71.99 -45.36 61.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 110.257 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.781 HG21 ' HB3' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -64.22 -48.05 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.119 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 21' ' ' GLN . 10.9 p -55.58 -34.87 36.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.051 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 15.3 t-20 -58.21 -39.61 79.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 3.2 t60 -70.89 -41.86 70.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.582 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.912 HG21 HD13 ' A' ' 24' ' ' LEU . 4.0 mt -57.91 -44.18 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.227 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.717 ' OD1' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.94 -36.78 84.29 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.976 -179.679 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.491 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -79.57 -43.72 22.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.982 0.42 . . . . 0.0 112.015 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.488 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 38.0 mm-40 -93.39 -12.64 29.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.957 -178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' ILE . 21.3 m80 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.676 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.8 t -59.76 125.45 23.71 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 0.53 27.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.726 ' NE1' HD21 ' A' ' 24' ' ' LEU . 13.2 m95 -72.9 131.75 42.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.763 0.316 . . . . 0.0 110.25 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -76.61 -35.12 58.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.426 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.03 9.88 18.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.567 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 52.4 t -109.34 122.87 38.3 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.603 0.239 . . . . 0.0 111.274 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 56.9 Cg_endo -98.47 24.49 0.22 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.316 2.677 . . . . 0.0 112.612 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -121.92 143.28 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 111.599 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -114.72 163.34 15.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.887 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.839 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.72 157.64 19.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.9 m -91.6 -33.43 15.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.29 170.47 15.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.968 0.413 . . . . 0.0 111.758 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.8 tp -50.77 -43.15 58.38 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -67.41 -35.42 79.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.613 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.839 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 8.5 t0 -60.9 -45.6 93.96 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.119 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.524 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.81 -39.87 95.62 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.777 178.666 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.02 -48.27 71.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.214 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -42.3 71.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 4.0 t60 -59.33 -47.14 86.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.927 HD23 ' HB2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -69.17 -41.84 76.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.454 -179.703 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.18 -46.32 77.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.43 -179.157 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -80.0 -41.75 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 5.2 t70 -84.08 -46.38 12.03 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.927 ' HB2' HD23 ' A' ' 24' ' ' LEU . 98.1 m-70 . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' A' ' 54' ' ' THR . 1.5 pt? . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.25 0.548 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.708 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . . . -108.0 154.34 21.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.158 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.465 ' HB2' ' HD1' ' A' ' 49' ' ' PHE . 1.8 t -58.9 142.36 50.95 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -106.86 38.48 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.53 148.14 22.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.831 0.348 . . . . 0.0 110.173 178.669 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.7 -44.88 86.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.49 -26.04 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 7.3 t -72.23 133.97 45.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.183 0.516 . . . . 0.0 112.257 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -114.51 22.82 13.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.607 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 25.4 t80 -64.02 142.47 58.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.466 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.708 ' CD1' ' HB2' ' A' ' 41' ' ' ALA . 6.0 tp -136.78 143.45 43.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.526 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.04 162.98 23.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.684 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -81.08 -32.05 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.58 ' C ' HD21 ' A' ' 40' ' ' LEU . 24.2 t70 -135.35 165.93 24.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.673 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -57.7 -39.44 77.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.762 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.18 -36.23 81.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.338 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.4 m -57.37 -33.98 68.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.73 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.694 ' O ' HG13 ' A' ' 61' ' ' ILE . 19.0 mt -72.48 -47.58 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.594 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.8 m -55.84 -34.72 37.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.737 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.565 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 15.0 t-20 -66.32 -42.22 88.54 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 5.9 t60 -70.51 -41.06 73.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.651 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.853 HG21 HD13 ' A' ' 24' ' ' LEU . 1.8 mt -58.6 -44.83 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.977 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.565 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.83 -36.9 84.75 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.004 -179.363 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.78 -44.65 18.23 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 42.1 mm-40 -94.0 -19.26 21.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.274 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 89.1 m-70 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.251 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.75 ' CA ' HD21 ' A' ' 20' ' ' LEU . 3.7 t -59.28 125.46 23.71 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -94.36 22.5 5.99 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.652 ' CE2' HD21 ' A' ' 24' ' ' LEU . 13.5 m95 -83.08 131.67 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 110.128 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -39.87 91.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.536 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.05 6.14 34.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.875 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 15.6 t -109.43 122.13 40.39 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.655 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.9 Cg_endo -102.39 17.49 0.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.616 2.878 . . . . 0.0 112.728 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -111.69 143.5 42.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.027 0.441 . . . . 0.0 111.855 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -112.4 163.34 14.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.728 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.936 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.91 156.34 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.354 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 t -94.88 -25.92 16.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.427 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -141.33 159.56 41.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.43 HD21 ' OD1' ' A' ' 62' ' ' ASN . 21.7 tp -50.52 -44.19 56.12 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.157 0.503 . . . . 0.0 110.294 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -61.93 -33.65 74.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.213 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.936 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 23.4 t0 -58.5 -45.37 88.89 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.293 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.849 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.41 -45.44 76.14 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.095 178.685 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -47.46 82.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.799 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -72.08 -38.05 69.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 2.7 t60 -68.97 -47.41 65.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.998 HD13 HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -66.6 -42.92 86.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.919 0.39 . . . . 0.0 111.71 -179.381 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 HG11 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -66.29 -46.1 78.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.423 -179.282 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -79.7 -41.66 26.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 18.1 t0 -83.44 -45.52 13.55 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -177.013 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.79 ' HB2' HD23 ' A' ' 24' ' ' LEU . 70.3 m80 . . . . . 0 C--N 1.327 -0.389 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.838 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.011 0.434 . . . . 0.0 110.784 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.587 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -114.6 152.64 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.848 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.565 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.9 t -60.12 142.51 54.1 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.411 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 5.9 m120 -108.67 36.13 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.49 148.1 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.898 0.38 . . . . 0.0 110.311 178.87 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -45.99 83.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -101.21 -26.06 13.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.4 t -72.72 135.82 45.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.067 0.46 . . . . 0.0 111.923 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -113.61 25.86 10.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.062 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 42.4 t80 -63.95 142.45 58.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.294 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.587 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -138.53 140.47 39.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.855 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.51 169.29 23.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.555 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.81 -32.09 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.313 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -142.22 171.8 13.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.596 ' CG2' HD13 ' A' ' 40' ' ' LEU . 40.2 p -60.01 -38.89 83.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.761 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -60.64 -36.8 79.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.002 0.43 . . . . 0.0 111.07 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -63.71 -33.5 75.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.208 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.838 HD11 ' HB3' ' A' ' 40' ' ' LEU . 80.8 mt -72.32 -47.63 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 55' ' ' ALA . 6.3 m -55.31 -34.58 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.538 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 14.3 t-20 -69.35 -44.35 71.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.766 178.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.563 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 10.6 t60 -70.11 -44.49 68.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.058 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.998 HG21 HD13 ' A' ' 24' ' ' LEU . 2.7 mt -57.79 -44.81 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.044 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.91 -36.52 83.62 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.015 -179.547 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.506 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.88 -44.5 18.25 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.498 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 45.2 mm-40 -93.96 -17.99 22.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.191 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 61' ' ' ILE . 44.5 m80 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.803 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.177 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 6.3 t -59.08 125.3 23.04 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 21.63 7.86 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.651 ' CZ2' HD21 ' A' ' 24' ' ' LEU . 14.6 m95 -80.69 131.83 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -65.03 -40.13 94.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.609 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -87.13 6.54 32.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 17.6 t -109.4 122.38 39.68 Favored Pre-proline 0 CA--C 1.53 0.174 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.666 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.9 Cg_endo -101.82 20.41 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.541 2.827 . . . . 0.0 112.559 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -116.18 143.38 45.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.066 0.46 . . . . 0.0 111.744 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.0 p -114.26 163.43 15.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.548 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.948 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.57 156.1 21.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -94.73 -23.83 17.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.68 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -141.49 157.98 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.64 0.257 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 tp -50.58 -44.08 56.72 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.175 0.512 . . . . 0.0 110.072 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.43 -33.92 76.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.963 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.948 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 6.6 t70 -58.72 -45.34 89.81 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.994 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.583 ' CD1' ' HA ' ' A' ' 5' ' ' CYS . 4.2 tp -63.37 -46.08 88.16 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 120.124 -0.63 . . . . 0.0 109.727 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -57.88 -45.57 86.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.86 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -72.09 -38.78 69.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.664 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.5 t60 -69.19 -47.54 64.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.95 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -66.29 -43.82 85.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.841 0.353 . . . . 0.0 111.559 -179.362 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.31 -45.93 78.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.453 -179.242 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -79.18 -41.42 28.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 29.9 t0 -83.3 -45.74 13.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.564 ' CD2' ' CE3' ' A' ' 7' ' ' TRP . 70.3 m80 . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.845 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.125 0.488 . . . . 0.0 110.452 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -102.8 152.35 21.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.981 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.577 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 4.2 t -60.56 142.46 55.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.501 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.424 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 5.9 m120 -108.5 39.11 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.542 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.5 148.19 22.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.935 0.397 . . . . 0.0 110.386 178.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -52.32 42.91 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -101.27 -26.13 13.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.8 t -66.49 138.94 57.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.122 0.487 . . . . 0.0 111.85 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.75 27.11 8.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.139 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.577 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 26.9 t80 -63.83 142.57 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.278 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -133.36 144.95 49.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.797 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.42 169.09 24.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.574 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -83.41 -32.0 26.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -144.27 179.15 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.471 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.5 m -65.77 -41.35 92.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.788 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -59.52 -36.86 76.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.977 0.418 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -63.17 -33.31 75.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.216 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.845 ' CD1' HD12 ' A' ' 40' ' ' LEU . 57.5 mt -71.95 -47.32 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.72 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.788 HG22 ' O ' ' A' ' 55' ' ' ALA . 4.0 m -55.52 -34.25 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.629 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.539 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 15.8 t-20 -68.86 -41.77 77.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.505 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.55 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 8.0 t60 -70.25 -44.76 67.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.856 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.95 HG21 HD13 ' A' ' 24' ' ' LEU . 1.5 mt -57.75 -44.1 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.58 -37.36 86.43 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.946 -179.412 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.504 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.41 -44.31 19.53 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 15.9 mm-40 -93.8 -17.27 23.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.24 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 61' ' ' ILE . 41.9 m80 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.463 0.184 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.808 ' N ' HD21 ' A' ' 20' ' ' LEU . 2.3 t -59.0 125.85 25.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -86.65 15.73 5.37 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.83 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.722 ' HE1' HD21 ' A' ' 24' ' ' LEU . 15.3 m95 -82.7 131.67 35.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 110.289 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -37.95 80.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.585 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -87.32 9.97 18.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.765 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 t -109.37 122.17 40.35 Favored Pre-proline 0 C--N 1.331 -0.211 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.544 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -101.96 15.23 0.33 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.56 2.84 . . . . 0.0 112.807 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -110.75 143.44 41.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.054 0.454 . . . . 0.0 111.933 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.5 p -116.09 163.14 16.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.652 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.653 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -111.49 156.36 21.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.398 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.7 p -92.7 -22.93 19.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.262 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -141.28 157.54 45.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -50.94 -37.41 44.13 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.028 0.442 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -68.51 -34.47 75.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.219 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.653 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 7.3 m-20 -59.21 -45.08 92.04 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.823 HD12 HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -63.5 -44.32 94.68 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 120.139 -0.625 . . . . 0.0 110.594 179.554 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.494 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 3.8 tt0 -57.98 -49.73 75.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.678 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -68.21 -46.38 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.444 -179.498 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -59.06 -34.74 72.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.897 HD13 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -70.0 -49.36 52.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.759 -179.596 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -62.46 -44.76 95.63 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.803 -179.034 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 1.6 pttp -79.37 -42.01 26.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 t70 -84.09 -41.6 16.97 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -177.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.583 ' CD2' ' CE3' ' A' ' 7' ' ' TRP . 69.9 m80 . . . . . 0 C--N 1.329 -0.292 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.901 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.792 0.33 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -117.36 151.95 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.0 t -60.77 142.55 55.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.587 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -109.44 38.25 2.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.41 148.24 22.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.861 0.363 . . . . 0.0 110.267 178.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.29 -50.15 67.97 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -101.33 -26.19 13.7 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 12.7 t -70.12 138.65 52.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.084 0.469 . . . . 0.0 111.93 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -117.16 27.82 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.035 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.612 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 41.0 t80 -63.94 142.77 58.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.314 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.2 tt -140.18 136.98 34.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.786 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.87 168.88 21.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.71 -28.98 30.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -141.04 169.82 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.425 ' HA ' HD12 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -62.93 -46.24 88.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.872 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.4 -36.96 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -59.82 -33.52 71.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.644 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.901 HD11 ' HB3' ' A' ' 40' ' ' LEU . 34.3 mt -71.45 -42.97 73.05 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.534 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' ' 55' ' ' ALA . 1.7 m -55.5 -34.41 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.113 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 10.9 t-20 -69.3 -41.01 77.34 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.245 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.612 ' CD2' ' CD2' ' A' ' 49' ' ' PHE . 17.4 t60 -70.18 -43.61 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.801 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.897 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.64 -45.61 86.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.88 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.77 -37.6 86.76 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.096 -179.449 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.37 -45.5 17.64 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.78 -16.2 23.19 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.58 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 90.6 m-70 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.697 ' HA ' HD11 ' A' ' 20' ' ' LEU . 29.4 t -58.18 125.16 22.03 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -100.39 28.69 4.83 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 7.9 m95 -82.24 131.63 35.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -64.69 -40.67 95.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.595 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -86.98 5.66 36.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.699 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 36.0 t -109.67 122.58 38.84 Favored Pre-proline 0 C--N 1.332 -0.187 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 53.1 Cg_endo -101.26 34.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.49 2.794 . . . . 0.0 112.423 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.92 143.45 48.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.104 0.478 . . . . 0.0 111.882 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 p -115.06 163.94 14.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.558 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.972 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.14 156.34 20.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.35 -26.65 18.81 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.55 165.16 28.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 111.408 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 tp -52.83 -36.79 59.21 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 121.255 0.55 . . . . 0.0 110.264 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -70.74 -34.71 72.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.09 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.972 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 43.2 t0 -59.44 -45.46 91.5 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.697 HD11 ' HA ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER -67.87 -42.43 81.3 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.312 179.298 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 7.3 tt0 -57.99 -48.41 80.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -39.52 77.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.438 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.6 t60 -69.33 -47.19 65.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.923 HD13 HG21 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -69.3 -43.83 73.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.265 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.15 -46.0 79.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.74 0.305 . . . . 0.0 111.726 -178.894 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -79.09 -41.95 27.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 5.2 t70 -84.15 -45.44 12.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.842 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.2 m-70 . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.977 HD23 HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.015 0.436 . . . . 0.0 110.71 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.717 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -108.81 152.86 24.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.891 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.614 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 3.5 t -60.05 142.49 53.95 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.772 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.429 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 5.7 m120 -112.35 40.86 2.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.125 -178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.594 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.31 148.19 22.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.368 179.124 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -50.94 58.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.23 -26.14 13.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.5 t -68.76 136.81 53.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.129 0.49 . . . . 0.0 111.819 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.69 25.08 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.146 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.614 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 33.2 t80 -63.9 142.32 58.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.182 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -133.49 141.27 47.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.908 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.8 169.12 22.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.396 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -93.29 -31.99 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -134.7 169.13 17.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.934 ' HA ' HD22 ' A' ' 40' ' ' LEU . 42.3 p -60.82 -36.93 80.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.655 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.06 -36.29 81.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.313 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -33.73 72.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.977 HD12 HD23 ' A' ' 40' ' ' LEU . 34.4 mt -72.45 -48.73 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 55' ' ' ALA . 35.7 m -55.82 -34.64 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.441 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 15.8 t-20 -66.32 -41.71 89.26 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 7.4 t60 -70.76 -44.02 67.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.798 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.923 HG21 HD13 ' A' ' 24' ' ' LEU . 1.7 mt -61.2 -43.56 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -65.94 -38.48 88.74 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.858 -179.619 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.39 -44.86 18.68 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -19.45 20.76 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 61' ' ' ILE . 57.7 m80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.707 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.0 tttt . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.779 ' HA ' HD11 ' A' ' 20' ' ' LEU . 2.0 t -59.23 125.25 22.86 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 7.08 29.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.557 ' CE3' ' CD2' ' A' ' 28' ' ' HIS . 15.1 m95 -73.05 131.52 42.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.137 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -70.21 -36.85 74.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.353 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -87.08 7.56 27.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.602 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.1 t -109.34 122.4 39.7 Favored Pre-proline 0 C--N 1.331 -0.203 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.538 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 45.3 Cg_endo -100.83 18.06 0.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.531 2.821 . . . . 0.0 112.595 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.65 143.3 41.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.063 0.458 . . . . 0.0 111.8 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -113.42 163.47 14.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.659 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.895 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.61 156.17 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.077 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.8 p -95.87 -28.13 14.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.593 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -141.43 160.01 41.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.305 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.5 tp -50.74 -35.73 32.96 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.191 0.52 . . . . 0.0 110.304 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -70.27 -33.85 72.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.302 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.895 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 9.0 t70 -58.9 -44.81 91.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.716 -178.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.779 HD11 ' HA ' ' A' ' 5' ' ' CYS . 1.1 tp -58.82 -46.55 87.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.421 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 8.1 tt0 -60.08 -48.93 79.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.332 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.37 -46.18 89.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.037 0.446 . . . . 0.0 110.947 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.462 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.3 t60 -69.96 -45.5 67.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.249 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.99 HD13 HG21 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -69.71 -47.72 62.12 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.777 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.537 ' CD2' ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -65.41 -44.51 87.17 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -177.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HG2' ' CD2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -79.1 -41.15 29.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 6.2 t0 -83.07 -42.01 17.95 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -176.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.719 ' HB2' HD23 ' A' ' 24' ' ' LEU . 59.3 m80 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.856 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.857 0.36 . . . . 0.0 110.713 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 50' ' ' LEU . . . -112.78 151.84 29.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.735 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -61.14 142.75 56.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.922 179.743 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.4 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.3 m120 -106.3 35.03 3.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.539 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.36 148.54 22.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.752 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -54.99 -50.75 68.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.341 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -101.34 -26.27 13.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.9 t -67.58 134.41 51.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.076 0.465 . . . . 0.0 111.732 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -114.32 24.81 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.202 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 15.0 t80 -63.94 142.19 58.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.211 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 41' ' ' ALA . 33.5 tp -139.7 143.82 37.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.78 169.06 23.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.415 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.24 -28.87 47.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.717 0.294 . . . . 0.0 111.264 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.19 178.29 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 58' ' ' VAL . 14.6 p -60.57 -31.01 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.656 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -64.44 -36.4 84.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.06 -33.75 76.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.485 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.856 ' CD1' HD12 ' A' ' 40' ' ' LEU . 81.1 mt -72.64 -48.32 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 55' ' ' ALA . 10.1 m -55.95 -37.5 48.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.984 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 17.9 t-20 -69.95 -43.74 70.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.545 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 13.1 t60 -70.09 -47.3 62.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.621 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.99 HG21 HD13 ' A' ' 24' ' ' LEU . 3.2 mt -57.7 -43.06 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.54 -37.84 87.88 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.668 -179.72 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.78 -44.3 18.79 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 13.4 mm100 -93.57 -15.79 25.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.137 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 61' ' ' ILE . 40.8 m80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.79 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.877 0.37 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.858 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -99.59 133.29 44.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.383 0.611 . . . . 0.0 111.112 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.561 ' N ' HD13 ' A' ' 3' ' ' LEU . 6.5 tttt -110.65 112.84 24.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.209 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.838 ' HB2' HD21 ' A' ' 20' ' ' LEU . 5.6 t -59.28 125.28 22.96 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.04 23.77 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.713 ' NE1' HD21 ' A' ' 24' ' ' LEU . 9.5 m95 -83.12 131.7 35.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.808 0.337 . . . . 0.0 110.302 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -40.23 94.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.558 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -87.07 4.66 41.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.953 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 22.7 t -109.38 122.09 40.58 Favored Pre-proline 0 C--N 1.332 -0.185 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.673 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.7 Cg_endo -102.08 19.15 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.588 2.858 . . . . 0.0 112.511 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -112.14 143.39 43.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.099 0.476 . . . . 0.0 111.823 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.8 p -114.18 163.54 15.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.625 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.93 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.63 156.03 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -92.27 -25.46 18.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.467 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -141.46 157.44 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.696 0.284 . . . . 0.0 111.058 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' HA ' HD23 ' A' ' 3' ' ' LEU . 9.0 tp -50.45 -36.0 31.33 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.243 0.544 . . . . 0.0 110.073 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.32 -33.62 71.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.716 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.93 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 17.1 t0 -58.43 -44.9 89.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.186 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.897 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.65 -39.39 80.73 Favored 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.877 179.583 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 7.8 tt0 -57.54 -48.26 79.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.591 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -72.29 -35.39 68.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.557 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.5 t60 -69.12 -47.56 64.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.897 HD12 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.3 -42.4 75.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.876 0.37 . . . . 0.0 111.599 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -66.31 -46.6 76.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.676 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -80.08 -41.81 24.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 15.9 t70 -83.76 -45.2 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -176.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.871 ' HB2' HD23 ' A' ' 24' ' ' LEU . 96.7 m-70 -90.09 -0.68 57.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 25' ' ' LEU . 3.9 m -161.05 86.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.162 0.506 . . . . 0.0 111.638 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -56.77 -35.05 68.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.111 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.84 109.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.808 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.98 -31.69 63.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 63.54 19.63 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.238 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.82 24.6 10.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.729 0.299 . . . . 0.0 111.159 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -96.11 128.54 36.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.24 -46.58 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.449 2.099 . . . . 0.0 112.229 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mtt -155.17 70.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -135.64 88.47 23.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.88 151.79 39.19 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.506 2.138 . . . . 0.0 112.099 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.885 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -92.11 149.06 21.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.856 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -127.21 152.74 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.624 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -60.08 142.45 54.09 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.485 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.2 m120 -107.55 35.11 3.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.262 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.45 148.22 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.444 179.008 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -57.52 -46.65 83.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -101.05 -20.3 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.4 t -78.07 138.44 38.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.175 0.512 . . . . 0.0 112.02 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.63 22.67 12.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.097 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 23.0 t80 -63.89 142.39 58.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.046 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.856 HD12 ' HB2' ' A' ' 41' ' ' ALA . 3.8 tp -139.43 143.11 37.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.95 169.0 24.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.82 -32.04 31.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.22 166.53 24.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.707 ' O ' HG13 ' A' ' 58' ' ' VAL . 2.9 t -60.17 -33.9 72.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -64.2 -36.87 85.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.0 m -63.78 -33.64 76.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.885 HD11 ' HB3' ' A' ' 40' ' ' LEU . 42.4 mt -72.53 -47.73 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.832 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.1 m -55.29 -34.64 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.625 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.552 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 14.3 t-20 -68.92 -41.23 78.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.521 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 7.5 t60 -70.48 -43.92 68.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.913 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.821 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.77 -44.38 85.87 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.78 -37.08 85.35 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.089 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.59 -44.34 19.13 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.501 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 71.0 mm-40 -93.82 -18.8 21.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.21 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.637 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.2 m-70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.751 0.31 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.017 HD12 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -85.72 137.16 33.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.294 0.569 . . . . 0.0 110.851 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -111.19 112.51 24.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.535 -178.759 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.86 ' HA ' HD21 ' A' ' 20' ' ' LEU . 5.4 t -59.75 125.86 25.31 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 10.52 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.601 ' HE1' HD21 ' A' ' 24' ' ' LEU . 13.1 m95 -81.31 131.7 35.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.333 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -70.76 -39.89 72.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.665 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.08 12.21 11.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.6 t -109.4 122.63 38.95 Favored Pre-proline 0 CA--C 1.531 0.214 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.469 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 52.3 Cg_endo -99.74 18.58 0.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 123.385 2.723 . . . . 0.0 112.772 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -114.07 143.27 45.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.977 0.418 . . . . 0.0 111.58 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -115.15 162.99 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.894 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.844 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . . . -112.81 157.4 21.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -91.28 -34.07 15.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.483 ' C ' HD23 ' A' ' 3' ' ' LEU . 12.8 t -141.17 170.38 15.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.863 0.363 . . . . 0.0 111.523 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' HA ' ' HG ' ' A' ' 3' ' ' LEU . 60.1 tp -50.35 -40.47 49.28 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.672 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -35.34 73.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.964 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.805 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 6.3 t70 -62.7 -45.26 93.56 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.017 HD12 HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -63.33 -41.11 98.86 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.455 179.378 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.515 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 3.5 tt0 -66.12 -50.33 64.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.1 -46.4 89.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.439 . . . . 0.0 110.513 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.2 t60 -62.22 -34.11 75.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.833 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.825 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -69.56 -48.7 59.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.848 -179.664 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.783 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -66.1 -44.83 83.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.627 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HG2' HD12 ' A' ' 25' ' ' LEU . 13.9 mttt -78.71 -41.71 30.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 18.1 t0 -83.37 -43.6 15.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.65 ' O ' HG13 ' A' ' 29' ' ' VAL . 97.4 m-70 -94.32 1.66 55.89 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 25' ' ' LEU . 3.1 m -161.76 84.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 121.311 0.577 . . . . 0.0 111.59 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.4 t -73.08 -28.79 62.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.306 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 62.96 112.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.763 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' C ' ' CG ' ' A' ' 33' ' ' PHE . 1.5 t0 -79.17 -38.72 35.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.409 ' CG ' ' C ' ' A' ' 32' ' ' ASP . 25.3 m-85 -157.58 -160.81 0.97 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.627 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -116.43 125.46 52.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.776 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 90.6 m-70 -81.75 125.76 77.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 31.7 Cg_exo -58.53 -49.09 12.85 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.503 2.135 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -140.31 28.41 2.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.255 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -116.34 84.93 15.07 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.63 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.53 154.93 22.85 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.699 2.266 . . . . 0.0 112.765 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.003 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -93.19 144.21 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.904 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -118.45 153.03 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.908 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.58 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 4.0 t -59.51 142.52 52.37 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -106.99 38.72 2.03 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.55 148.29 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.934 0.397 . . . . 0.0 110.262 178.718 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -50.79 -52.3 42.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -101.31 -26.16 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.0 t -64.98 137.46 57.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.206 0.527 . . . . 0.0 112.048 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -117.02 25.21 10.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.035 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.58 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 40.0 t80 -63.79 142.8 58.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.259 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.2 tp -134.46 143.02 47.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.28 163.66 25.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.598 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.55 -30.24 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.702 0.286 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.801 ' C ' HD11 ' A' ' 40' ' ' LEU . 15.6 m-20 -133.77 166.5 22.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.517 ' N ' HD11 ' A' ' 40' ' ' LEU . 2.8 p -57.33 -49.06 77.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.681 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.8 -36.12 71.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -57.45 -36.54 71.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.713 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 1.003 ' CD1' HD12 ' A' ' 40' ' ' LEU . 78.8 mt -72.58 -47.77 49.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.647 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.2 m -55.86 -37.15 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.621 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 17.2 t-20 -65.25 -42.56 93.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.545 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 9.2 t60 -70.17 -43.15 71.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.812 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.825 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.85 -44.17 85.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -65.64 -37.59 86.99 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.019 -179.45 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.65 -44.48 18.77 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.496 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 22.1 mm-40 -94.0 -15.56 24.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.205 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.631 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.0 m-70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.713 0.292 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.969 HD12 HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.71 141.6 29.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.245 0.545 . . . . 0.0 110.888 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.78 112.68 24.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.118 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.32 125.27 22.93 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.53 0.84 28.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.662 ' HE1' HD11 ' A' ' 24' ' ' LEU . 15.2 m95 -72.93 131.65 42.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.247 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -38.3 70.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.75 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -86.38 9.96 16.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.832 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.7 t -109.51 122.67 38.71 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 120.583 0.23 . . . . 0.0 111.447 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 52.0 Cg_endo -99.5 13.48 0.58 Allowed 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.399 2.733 . . . . 0.0 112.792 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.66 143.3 34.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.95 0.405 . . . . 0.0 111.667 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 t -115.53 163.15 16.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.913 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.88 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . . . -111.72 156.85 21.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.068 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -89.38 -34.15 16.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.585 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 18.2 m -141.29 170.09 16.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.099 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 55.6 tp -50.62 -35.55 30.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.988 0.423 . . . . 0.0 110.776 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -70.28 -35.36 73.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.991 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.847 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -59.83 -45.58 91.94 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.501 -179.036 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.969 HD12 HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -63.09 -46.19 88.55 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.004 178.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.409 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -63.24 -43.34 98.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.23 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -70.79 -45.89 63.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.4 t60 -65.44 -47.08 77.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.051 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.944 HD13 HG21 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -64.02 -41.76 97.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.226 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.061 HD12 HG11 ' A' ' 58' ' ' VAL . 1.4 tt -66.33 -46.52 76.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.889 0.376 . . . . 0.0 111.597 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -79.18 -40.72 30.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 10.5 t70 -83.38 -45.39 13.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.824 ' HB2' HD23 ' A' ' 24' ' ' LEU . 96.8 m-70 -91.24 5.61 48.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.561 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 92.2 t -131.75 95.5 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-O 121.547 0.689 . . . . 0.0 111.317 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 t -73.42 -21.6 60.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.196 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 62.8 103.57 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.615 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -66.66 -38.41 86.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.269 -179.665 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' ASP . 0.8 OUTLIER 80.22 -40.86 0.2 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.651 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -45.9 -27.95 1.0 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 56.5 p-80 -69.68 120.44 77.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.915 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 19.8 Cg_exo -65.75 -49.18 2.42 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.424 2.083 . . . . 0.0 112.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.19 30.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -77.61 135.7 64.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.787 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.76 147.35 61.47 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.315 2.01 . . . . 0.0 112.233 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.794 ' CD2' HG22 ' A' ' 54' ' ' THR . 5.6 tp -91.85 129.57 37.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -102.97 151.37 22.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.278 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.586 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.2 t -61.4 142.81 56.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.852 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -108.33 37.67 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.599 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.46 148.31 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.352 178.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -50.92 -53.62 31.23 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.41 -26.23 13.66 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.2 t -65.29 137.57 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.101 0.477 . . . . 0.0 111.82 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.29 28.11 8.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.08 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 28.2 t80 -63.84 142.83 58.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.329 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 15.8 tp -136.28 137.99 41.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.71 169.09 22.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.23 -30.4 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 111.117 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.12 -174.69 4.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.047 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.794 HG22 ' CD2' ' A' ' 40' ' ' LEU . 41.4 p -66.02 -40.62 91.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.75 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -59.98 -36.6 77.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -64.82 -32.71 74.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.36 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.79 HD11 ' HB3' ' A' ' 40' ' ' LEU . 73.3 mt -71.67 -47.7 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 1.061 HG11 HD12 ' A' ' 25' ' ' LEU . 24.7 m -55.22 -34.35 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.939 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.561 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 13.1 t-20 -69.13 -43.13 74.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.586 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 15.5 t60 -70.44 -42.11 71.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.88 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.944 HG21 HD13 ' A' ' 24' ' ' LEU . 2.1 mt -60.22 -45.68 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.949 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -66.1 -37.29 85.39 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.062 -179.404 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.76 -44.48 18.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 15.1 mm100 -93.95 -18.79 21.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.369 -178.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.577 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 90.7 m-70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.01 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 15' ' ' SER . 2.0 m-20 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.736 0.303 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.037 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -112.09 127.6 55.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.599 0.714 . . . . 0.0 111.483 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -110.32 114.49 27.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.121 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' CB ' HD11 ' A' ' 20' ' ' LEU . 10.7 t -57.73 125.34 22.57 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -100.46 25.93 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.775 ' NE1' HD21 ' A' ' 24' ' ' LEU . 11.6 m95 -83.26 131.71 35.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.801 0.334 . . . . 0.0 110.614 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -66.72 -36.99 83.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 3.1 47.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.724 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 7' ' ' TRP . 11.5 t -109.32 122.4 39.71 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-O 120.612 0.244 . . . . 0.0 111.374 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 50.1 Cg_endo -100.14 34.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.348 2.699 . . . . 0.0 112.529 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.23 143.28 40.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.011 0.434 . . . . 0.0 111.677 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.2 p -121.32 163.4 18.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.506 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 3' ' ' LEU . . . -110.64 155.32 22.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER -96.68 -13.02 23.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.196 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 67.3 m -142.37 154.6 44.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.703 0.287 . . . . 0.0 111.36 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.867 HD11 ' OD1' ' A' ' 62' ' ' ASN . 10.9 tp -52.1 -35.28 47.42 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.292 0.568 . . . . 0.0 110.392 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.91 -34.66 71.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.19 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.783 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 31.0 m-20 -59.35 -45.37 91.57 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -178.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.037 ' HB3' HD13 ' A' ' 3' ' ' LEU . 16.4 tp -72.09 -38.64 69.32 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.534 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HG2' HG21 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -56.29 -48.33 76.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 109.95 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -36.05 66.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 t60 -69.62 -47.67 62.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.362 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.026 HD13 HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -69.33 -49.14 58.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.989 0.423 . . . . 0.0 111.615 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.465 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -63.48 -45.81 89.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.888 -178.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -42.2 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 4.2 t0 -84.79 -46.3 11.51 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.678 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.1 m-70 -90.26 5.25 47.92 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 18.0 t -144.35 94.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.292 0.567 . . . . 0.0 111.013 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' ASP . 16.4 t -73.16 -19.79 61.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.322 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' HG2' ' CG ' ' A' ' 35' ' ' HIS . 2.1 mt-30 -56.64 82.86 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.148 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 4.2 m-20 -87.43 -21.93 25.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.359 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -177.59 -26.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.673 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -37.24 0.84 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CG ' ' HG2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -69.92 120.6 78.83 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.016 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.37 -49.11 6.48 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.467 2.111 . . . . 0.0 112.231 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.8 ttt -175.77 37.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -88.55 126.46 59.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.86 147.58 61.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.35 2.033 . . . . 0.0 112.171 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.755 ' HB3' HG21 ' A' ' 57' ' ' ILE . 0.5 OUTLIER -93.0 125.81 37.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' N ' HD13 ' A' ' 40' ' ' LEU . . . -105.02 151.71 23.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.836 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 142.42 55.61 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.416 -0.586 . . . . 0.0 109.416 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.477 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.5 m120 -107.94 35.48 3.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.049 -177.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.657 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -94.59 148.34 22.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.032 0.444 . . . . 0.0 110.788 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -50.28 66.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.426 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.2 -26.19 13.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 5.8 t -67.07 133.95 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.482 . . . . 0.0 111.717 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.67 20.61 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.242 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 60' ' ' HIS . 11.0 t80 -63.98 142.67 58.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.262 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.903 HD22 ' N ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -134.74 139.06 44.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.073 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.903 ' N ' HD22 ' A' ' 50' ' ' LEU . . . -129.45 152.69 19.62 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.616 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -72.9 -32.13 65.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.699 0.285 . . . . 0.0 111.507 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.786 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -139.18 156.66 46.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.761 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.453 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 67.6 p -53.04 -38.23 62.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.822 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' HA ' HG12 ' A' ' 58' ' ' VAL . . . -68.2 -35.49 78.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.509 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 m -72.06 -42.78 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.034 0.445 . . . . 0.0 110.227 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.786 HG22 ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -68.85 -48.04 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.348 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.504 HG21 ' HG2' ' A' ' 21' ' ' GLN . 11.7 p -55.66 -34.74 36.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 121.012 0.434 . . . . 0.0 109.906 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.48 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 15.9 t-20 -58.18 -39.8 79.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 49' ' ' PHE . 4.0 t60 -70.88 -39.5 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.59 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.026 HG21 HD13 ' A' ' 24' ' ' LEU . 3.7 mt -60.16 -43.68 93.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.873 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.867 ' OD1' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.89 -40.0 91.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.199 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.11 -43.56 21.5 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' A' ' 60' ' ' HIS . 8.9 mp0 -92.58 -12.77 30.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.065 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.639 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 81.9 m-70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.719 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' SER . 1.2 m-20 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.697 0.284 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.872 HD23 ' HB3' ' A' ' 20' ' ' LEU . 4.3 tp -111.92 121.63 45.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.47 0.652 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -109.81 114.24 27.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.82 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.662 ' HA ' HD11 ' A' ' 20' ' ' LEU . 15.1 t -57.83 125.17 21.88 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.21 23.55 12.24 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 8.9 m95 -72.93 131.58 42.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -41.79 98.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.536 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.95 6.55 31.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.756 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 19.7 t -109.53 122.53 39.12 Favored Pre-proline 0 C--N 1.332 -0.178 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 48.2 Cg_endo -101.4 37.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.563 2.842 . . . . 0.0 112.538 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -141.02 143.45 34.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.0 111.699 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -120.3 163.27 18.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.657 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.895 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.59 156.43 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER -91.8 -21.78 20.49 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.33 170.09 16.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.606 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.732 ' HA ' HD22 ' A' ' 3' ' ' LEU . 5.7 tp -54.41 -41.84 69.77 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -70.39 -34.61 72.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.273 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.895 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -59.46 -46.67 88.1 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.798 -178.334 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.872 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -74.37 -41.37 61.11 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.651 178.275 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -57.93 -47.15 83.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.622 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.576 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -69.66 -39.64 76.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.594 179.789 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.8 t60 -70.06 -43.98 70.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.037 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.879 HD13 HG21 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -69.83 -48.87 57.33 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -178.015 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HA ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -64.73 -44.13 91.15 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.83 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HG2' ' CD2' ' A' ' 25' ' ' LEU . 25.6 mmtt -78.62 -41.57 31.26 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 4.9 t70 -83.24 -45.87 13.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.807 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.6 m-70 -90.46 5.02 49.36 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -172.77 59.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 111.003 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -61.16 -29.17 69.63 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.263 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 43.46 92.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.42 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.51 -38.27 86.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.97 -13.01 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.558 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.4 pttt 43.42 90.98 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.838 0.351 . . . . 0.0 111.436 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -69.94 120.99 81.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.59 -34.45 4.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.431 2.087 . . . . 0.0 112.305 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.4 mtt -59.98 -66.33 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.82 111.95 8.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.9 154.6 26.22 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.514 2.143 . . . . 0.0 112.316 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.868 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -91.61 119.37 31.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -112.26 152.8 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.0 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.599 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 3.5 t -59.99 142.42 53.91 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.474 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 5.8 m120 -110.36 38.49 2.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.236 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.457 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.38 148.14 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.285 178.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -46.1 83.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -101.23 -26.05 13.78 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 9.7 t -72.48 140.05 48.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.105 0.479 . . . . 0.0 111.892 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.41 25.36 10.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.192 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.599 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 38.6 t80 -63.94 142.39 58.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.119 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.9 tt -138.7 139.99 38.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.9 169.21 23.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -90.55 -32.08 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.45 165.66 22.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.036 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.762 ' HA ' HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -61.29 -44.49 97.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.782 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.739 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -58.32 -36.57 73.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -33.86 72.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.703 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.868 ' CD1' HD22 ' A' ' 40' ' ' LEU . 79.5 mt -72.52 -47.83 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.718 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.0 m -55.82 -34.68 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.749 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 16.8 t-20 -68.01 -41.49 82.12 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.555 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 8.6 t60 -70.39 -44.14 68.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.823 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.879 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.65 -44.33 85.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.082 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.558 ' HB2' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.62 -37.59 87.02 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.979 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.3 -45.18 18.3 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.35 -16.27 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.64 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.5 m-70 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.743 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.711 0.291 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.853 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -92.91 130.45 38.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.379 0.609 . . . . 0.0 111.029 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.484 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -110.85 113.33 25.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.034 -0.985 . . . . 0.0 112.256 -178.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.844 ' HB2' HD21 ' A' ' 20' ' ' LEU . 3.4 t -58.95 125.34 23.17 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -94.42 22.55 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.494 ' HE1' HD11 ' A' ' 24' ' ' LEU . 15.2 m95 -83.15 131.8 35.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.331 . . . . 0.0 110.327 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -66.76 -39.81 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.346 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.09 7.73 26.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.823 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 29.2 t -109.44 122.39 39.62 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.483 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.6 Cg_endo -101.16 22.97 0.17 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.516 2.811 . . . . 0.0 112.697 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.71 143.33 49.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.991 0.424 . . . . 0.0 111.793 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -119.8 163.12 17.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.548 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.757 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.87 156.0 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.334 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.7 p -96.12 -18.72 19.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.411 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 35.4 m -141.13 154.11 45.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 110.794 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.675 ' HA ' HD23 ' A' ' 3' ' ' LEU . 6.1 tp -50.62 -35.11 28.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.155 0.503 . . . . 0.0 110.527 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -34.09 72.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.224 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.757 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -58.96 -44.94 91.56 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.133 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.95 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -70.14 -39.89 75.13 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.227 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -57.8 -48.01 80.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.603 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 5.8 ttt85 -70.1 -39.52 75.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.718 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.467 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.6 t60 -69.14 -47.44 65.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.95 HD12 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -66.25 -44.83 82.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.957 0.408 . . . . 0.0 111.741 -179.418 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -66.44 -45.94 78.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.723 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 6.9 mmpt? -79.55 -41.4 27.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 15.0 t0 -83.43 -45.54 13.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -177.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.741 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.9 m-70 -89.72 5.26 46.72 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 24.7 t -146.54 96.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.207 0.527 . . . . 0.0 111.064 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.6 t -73.32 -38.1 65.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 62.03 90.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.637 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -71.4 -38.68 71.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.249 -179.733 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 84.6 m-85 -157.64 -162.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.699 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -126.1 114.22 18.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -91.55 132.68 32.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.784 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.36 -45.43 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.51 2.14 . . . . 0.0 112.43 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.0 ttm -113.13 51.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.37 85.32 5.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.98 154.69 26.28 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.746 2.297 . . . . 0.0 112.404 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.92 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -91.33 131.19 36.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.467 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.528 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -112.68 151.85 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.929 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.7 t -61.08 142.86 56.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.538 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.439 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.3 m120 -105.79 36.34 2.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.92 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.31 148.14 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.283 178.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.55 -52.69 45.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.37 -26.14 13.71 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.1 t -64.15 139.68 58.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.184 0.516 . . . . 0.0 111.975 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -120.31 24.43 10.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.193 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.551 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 19.1 t80 -63.79 142.52 58.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -136.32 145.0 44.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.997 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.27 169.12 24.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -81.8 -31.82 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.28 170.73 15.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.079 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.496 ' HA ' HD12 ' A' ' 57' ' ' ILE . 3.6 m -61.07 -40.73 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.929 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -58.39 -39.82 80.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.788 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t -59.67 -33.12 71.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.445 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.92 HD11 ' HB3' ' A' ' 40' ' ' LEU . 50.7 mt -71.34 -46.51 64.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.352 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.929 HG22 ' O ' ' A' ' 55' ' ' ALA . 4.3 m -55.2 -34.4 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.585 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 12.6 t-20 -69.09 -41.55 77.33 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.551 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 9.0 t60 -70.64 -43.05 70.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.736 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.926 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.88 -45.49 87.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.957 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.81 -36.8 84.53 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.124 -179.265 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.49 -44.66 18.81 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.508 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 51.4 mm-40 -94.13 -18.81 21.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.312 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.621 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.9 m-70 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' SER . 8.2 p-10 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.647 0.261 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.877 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -105.1 135.79 45.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 111.381 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -111.14 113.08 25.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.191 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.702 ' CA ' HD21 ' A' ' 20' ' ' LEU . 7.5 t -58.99 125.21 22.64 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -95.91 23.35 6.43 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.74 ' NE1' HD21 ' A' ' 24' ' ' LEU . 9.1 m95 -82.14 131.76 35.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.814 0.34 . . . . 0.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -39.51 90.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.536 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.06 3.72 44.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.893 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 31.3 t -109.57 122.37 39.57 Favored Pre-proline 0 C--N 1.332 -0.186 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.736 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.6 Cg_endo -101.41 21.44 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.568 2.845 . . . . 0.0 112.518 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.28 143.42 44.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.079 0.466 . . . . 0.0 111.895 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -114.97 163.68 15.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.51 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.931 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.49 156.29 21.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.224 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -92.41 -25.72 18.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.47 -179.57 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -141.59 158.42 43.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.004 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.619 ' HA ' HD23 ' A' ' 3' ' ' LEU . 12.3 tp -50.62 -43.0 56.77 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.128 0.489 . . . . 0.0 110.289 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -62.52 -33.62 75.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.634 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.931 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 22.8 t0 -58.57 -44.97 89.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.99 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.896 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -62.76 -43.42 98.84 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.842 179.476 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 9.7 tt0 -57.75 -48.19 80.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -71.99 -36.89 69.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.668 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 3.5 t60 -69.21 -47.53 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.977 HD13 HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -69.33 -48.48 61.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.369 . . . . 0.0 111.53 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -63.14 -45.44 91.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.359 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -42.19 27.03 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 3.3 t0 -84.41 -46.32 11.82 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.915 ' HB2' HD23 ' A' ' 24' ' ' LEU . 98.9 m-70 -90.9 5.44 48.58 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 29' ' ' VAL . 22.1 t -150.89 94.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.227 0.537 . . . . 0.0 111.092 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.8 t -65.21 -34.98 79.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.048 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 61.49 69.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.786 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -71.84 -26.79 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 65.23 33.47 9.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.811 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -34.28 63.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.404 ' CG ' ' HB2' ' A' ' 38' ' ' GLU . 7.7 p80 -83.82 139.06 40.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.56 -46.31 0.64 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.42 2.08 . . . . 0.0 112.32 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -148.47 85.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HB2' ' CG ' ' A' ' 35' ' ' HIS . 1.1 mm-40 -137.05 109.61 9.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.748 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.75 145.29 72.49 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.331 2.02 . . . . 0.0 112.149 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.879 HD12 HG22 ' A' ' 54' ' ' THR . 0.4 OUTLIER -91.98 140.11 29.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.501 ' H ' HD23 ' A' ' 40' ' ' LEU . . . -114.44 152.41 31.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.627 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.42 142.64 54.76 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.453 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.4 m120 -106.82 35.33 3.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.073 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.39 148.1 22.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.478 179.076 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -47.86 77.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.477 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.3 -26.1 13.74 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 7.9 t -68.95 136.66 52.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.127 0.489 . . . . 0.0 111.969 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -115.9 22.53 12.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.173 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 25.1 t80 -64.02 142.3 58.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.254 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 1.7 pp -138.36 141.13 39.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.861 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.97 169.1 21.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.68 -31.81 22.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -137.43 169.63 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.879 HG22 HD12 ' A' ' 40' ' ' LEU . 37.3 p -60.66 -34.95 75.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.871 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -66.98 -37.35 84.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 m -57.96 -33.6 69.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.517 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.761 HD12 HD13 ' A' ' 40' ' ' LEU . 90.5 mt -71.74 -46.57 61.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.254 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.0 m -55.17 -34.33 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 12.7 t-20 -69.67 -45.18 68.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.869 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.538 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 9.6 t60 -70.08 -44.67 68.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.977 HG21 HD13 ' A' ' 24' ' ' LEU . 2.5 mt -57.72 -44.78 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.79 -36.37 83.34 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.782 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.515 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.59 -44.8 18.38 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.484 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 57.6 mm-40 -94.18 -16.95 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.181 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.636 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.1 m-70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.738 0.304 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.828 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -87.82 131.04 34.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.445 0.641 . . . . 0.0 110.97 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.567 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -110.47 113.04 25.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.822 -179.273 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.806 ' CB ' HD21 ' A' ' 20' ' ' LEU . 1.8 t -58.93 125.19 22.56 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' CE ' ' HE3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -94.8 23.52 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.698 -178.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.479 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 8.5 m95 -82.99 131.79 35.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -43.74 89.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.679 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.31 12.47 11.86 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.0 t -109.35 122.46 39.49 Favored Pre-proline 0 C--N 1.332 -0.19 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.629 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 53.1 Cg_endo -101.14 25.97 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.456 2.771 . . . . 0.0 112.591 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.48 143.35 51.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.056 0.455 . . . . 0.0 111.755 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -118.32 163.31 16.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.616 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.926 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.72 155.84 21.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.254 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.1 -19.9 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.482 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.27 155.19 46.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.703 ' HA ' HD23 ' A' ' 3' ' ' LEU . 9.9 tp -50.45 -35.53 29.2 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.158 0.504 . . . . 0.0 110.229 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -70.38 -33.68 71.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.953 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.926 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 4.7 m-20 -58.62 -44.96 90.15 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.858 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -69.9 -41.24 74.95 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.048 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -57.8 -43.91 85.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.55 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.689 ' HA ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -72.25 -42.9 65.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.422 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -69.64 -40.76 76.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.763 -179.416 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.955 HD13 HG21 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -69.98 -49.21 53.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.724 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.78 HD23 ' H ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -63.92 -43.85 94.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.342 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.78 ' H ' HD23 ' A' ' 25' ' ' LEU . 9.7 ptpt -78.81 -41.72 29.55 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 t70 -83.97 -46.0 12.54 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.841 ' HB2' HD23 ' A' ' 24' ' ' LEU . 98.4 m-70 -91.22 5.28 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -178.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 80.1 t -150.29 102.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.385 0.612 . . . . 0.0 111.636 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 t -73.24 -26.85 61.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.574 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 63.62 142.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.5 m-20 -62.79 -24.75 67.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.481 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 9.9 m-85 67.52 -65.86 0.22 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.115 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.26 46.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.094 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -95.97 135.87 22.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.822 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -75.47 -46.73 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.467 2.111 . . . . 0.0 112.477 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.3 tpp -177.47 68.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.54 120.18 40.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.74 154.32 26.53 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.413 2.075 . . . . 0.0 112.489 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.91 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -118.3 127.28 53.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.936 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -98.45 153.17 18.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.677 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 2.5 t -59.73 140.49 56.45 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.503 ' N ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -98.04 30.14 3.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.741 -177.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.647 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.55 148.54 22.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.107 0.479 . . . . 0.0 111.048 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.77 -49.7 75.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.619 -179.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -101.08 -26.29 13.75 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.8 t -65.87 134.63 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.967 0.413 . . . . 0.0 111.565 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.95 21.45 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.603 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 20.1 t80 -63.98 142.31 58.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.025 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.9 tt -135.37 151.68 50.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.039 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.3 169.17 26.99 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.07 -23.95 26.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.711 0.291 . . . . 0.0 111.262 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -150.57 169.69 20.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.512 ' HA ' HD13 ' A' ' 40' ' ' LEU . 1.9 t -58.43 -38.25 77.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.797 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.703 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -59.74 -36.52 76.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.2 m -64.46 -33.48 75.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.264 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.91 ' CD1' HD22 ' A' ' 40' ' ' LEU . 66.3 mt -72.42 -48.08 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.874 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 55' ' ' ALA . 4.8 m -55.61 -34.76 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.055 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.562 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 15.0 t-20 -69.22 -44.22 72.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.897 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 6.8 t60 -70.19 -44.08 69.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.049 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.955 HG21 HD13 ' A' ' 24' ' ' LEU . 2.8 mt -57.81 -44.06 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.146 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.88 -36.26 82.92 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.78 -179.736 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.52 -44.46 19.06 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 14.7 mm-40 -93.81 -18.31 22.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.135 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.671 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 84.5 m-70 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.763 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' SER . 1.4 m-20 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.726 0.298 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.886 HD12 HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -111.98 136.4 51.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.643 0.735 . . . . 0.0 111.455 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.34 114.11 27.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.669 -1.151 . . . . 0.0 112.005 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.7 t -57.84 125.15 21.81 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -99.58 26.52 6.07 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.821 ' NE1' HD21 ' A' ' 24' ' ' LEU . 7.7 m0 -82.95 131.66 35.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -63.28 -35.34 80.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.544 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.07 -7.87 57.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.743 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.571 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 33.6 t -109.38 122.35 39.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 51.1 Cg_endo -100.59 12.59 0.5 Allowed 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.422 2.748 . . . . 0.0 112.486 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.47 143.38 27.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.108 0.48 . . . . 0.0 111.896 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 p -118.47 163.43 16.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.353 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.946 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.62 149.93 29.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.901 0.382 . . . . 0.0 111.242 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 1.4 t -81.62 -25.52 35.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.368 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -141.73 168.06 20.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.624 ' HA ' HD23 ' A' ' 3' ' ' LEU . 2.1 tp -54.22 -44.06 71.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.178 0.513 . . . . 0.0 110.453 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -65.13 -33.53 76.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.237 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.946 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 5.4 m-20 -58.22 -45.14 88.23 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.886 HD23 HD12 ' A' ' 3' ' ' LEU . 53.2 tp -73.25 -39.75 65.2 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.346 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -48.63 78.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.005 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -72.93 -32.81 65.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.597 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 2.9 t60 -69.41 -47.67 63.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.745 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.894 HD13 HG21 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -69.47 -41.05 76.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.37 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -66.59 -46.45 75.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.671 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -79.91 -42.03 24.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 31.6 t0 -83.77 -45.78 12.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.737 ' O ' HG13 ' A' ' 29' ' ' VAL . 98.9 m-70 -92.33 5.31 51.06 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -168.44 66.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.479 0.657 . . . . 0.0 111.253 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -73.08 -25.35 60.86 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.19 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.421 ' OE1' HG21 ' A' ' 54' ' ' THR . 37.1 mt-30 64.97 102.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.0 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -38.69 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -140.56 -163.7 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.547 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -121.93 129.12 52.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -93.02 121.0 66.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.752 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.61 -49.1 18.47 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.492 2.128 . . . . 0.0 112.313 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.9 mtt -139.88 88.32 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.8 97.1 0.78 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -55.79 154.42 26.4 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.54 2.16 . . . . 0.0 112.248 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.862 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -91.62 114.51 27.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.657 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.597 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -99.56 152.19 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.051 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 4.5 t -60.55 142.59 55.2 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.625 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.445 ' HB2' ' CZ2' ' A' ' 7' ' ' TRP . 5.7 m120 -108.82 39.12 2.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.097 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.34 148.28 22.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.336 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -53.97 28.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.35 -26.02 13.75 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.8 t -63.97 140.15 58.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.153 0.501 . . . . 0.0 111.913 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -118.99 25.96 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.33 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.583 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 36.0 t80 -63.91 142.57 58.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.144 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.597 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -133.83 140.88 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.05 169.03 23.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.422 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.2 -32.09 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -139.05 168.39 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.986 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.785 HG23 ' CD1' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -59.37 -33.7 71.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.824 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -66.78 -36.86 83.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.7 m -62.52 -33.47 74.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.862 ' CD1' HD22 ' A' ' 40' ' ' LEU . 80.1 mt -71.63 -47.16 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.582 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.824 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.2 m -55.15 -34.36 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.956 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.574 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 13.1 t-20 -69.54 -42.48 74.55 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.577 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 13.4 t60 -70.34 -44.05 68.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.003 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.894 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.89 -44.67 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.91 -37.48 86.19 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.033 -179.418 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.495 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.6 -44.62 18.64 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.512 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 13.6 mm100 -94.02 -17.86 22.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.249 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.7 m-70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.992 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.685 0.279 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.722 HD12 HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.87 136.98 33.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.423 0.63 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 112.75 24.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.54 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.992 ' HA ' HD11 ' A' ' 20' ' ' LEU . 8.6 t -59.26 125.63 24.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -89.87 18.25 5.87 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -178.721 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.816 ' NE1' HD21 ' A' ' 24' ' ' LEU . 11.6 m95 -83.19 131.5 35.11 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.215 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -41.5 82.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.796 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -85.19 7.54 21.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.88 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 48.6 t -109.44 122.53 39.2 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.659 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 49.1 Cg_endo -101.18 21.38 0.2 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.536 2.824 . . . . 0.0 112.624 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -112.45 143.4 43.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.068 0.461 . . . . 0.0 111.933 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.4 p -117.13 163.45 16.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.547 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.907 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.65 156.05 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.279 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -93.01 -28.94 16.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.356 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -141.47 160.99 38.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 3' ' ' LEU . 21.9 tp -50.68 -32.48 19.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.112 0.482 . . . . 0.0 110.336 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.11 -34.11 72.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.825 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.907 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 1.3 m-20 -58.91 -45.31 90.61 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.992 HD11 ' HA ' ' A' ' 5' ' ' CYS . 1.2 tp -61.15 -44.73 96.87 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.812 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 10.6 tt0 -57.7 -48.38 79.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.104 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 22' ' ' ARG . 12.4 ttp-105 -72.15 -36.81 69.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 t60 -69.25 -47.4 64.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.171 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.903 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -69.16 -44.03 73.08 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.158 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.516 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -66.12 -46.0 79.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.93 -178.659 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -79.51 -41.79 26.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 13.9 t0 -83.96 -45.38 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.644 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.4 m-70 -89.84 5.68 45.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 65.5 t -135.76 94.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.422 0.629 . . . . 0.0 111.247 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -73.15 -27.92 61.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.942 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 62.24 91.4 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.18 -37.38 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 64.92 36.49 7.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.59 -29.66 19.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -87.85 139.05 31.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.999 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.76 -44.62 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.491 2.128 . . . . 0.0 112.389 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.1 mmt -151.77 85.7 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.64 121.66 9.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.87 154.19 27.82 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.481 2.121 . . . . 0.0 112.385 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.944 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -91.84 149.26 21.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.756 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.836 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -126.76 151.97 47.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.956 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.553 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 2.5 t -60.46 142.7 54.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.627 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -108.2 35.77 3.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.44 148.1 22.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.359 . . . . 0.0 110.284 178.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -44.79 91.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.22 -26.17 13.74 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 12.6 t -74.71 138.11 42.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.14 0.495 . . . . 0.0 111.86 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.95 27.29 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.14 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 37.1 t80 -64.01 142.83 58.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.343 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.836 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.5 tp -140.17 138.53 35.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.813 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.24 169.08 21.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.603 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.34 -32.02 22.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.669 0.271 . . . . 0.0 110.991 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.57 ' OD2' ' HB3' ' A' ' 55' ' ' ALA . 9.0 p-10 -137.46 168.99 18.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.708 HG22 HD13 ' A' ' 40' ' ' LEU . 18.9 p -60.27 -39.32 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.855 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.0 -36.95 83.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -33.7 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.944 HD11 ' HB3' ' A' ' 40' ' ' LEU . 58.8 mt -71.93 -47.02 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.606 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.855 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.7 m -55.11 -34.74 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.532 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 14.1 t-20 -69.62 -42.3 74.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.581 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 18.0 t60 -70.22 -44.8 67.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.24 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.903 HG21 HD13 ' A' ' 24' ' ' LEU . 1.9 mt -57.88 -44.93 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.952 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.81 -37.72 87.02 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.02 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.504 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.29 -45.19 18.31 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.31 -16.43 23.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.066 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.623 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.9 m-70 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.744 0.306 . . . . 0.0 111.291 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.825 HD23 ' HB3' ' A' ' 20' ' ' LEU . 1.9 tp -112.31 126.33 55.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.42 0.628 . . . . 0.0 111.401 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.32 112.89 25.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.904 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' CA ' HD12 ' A' ' 20' ' ' LEU . 50.3 t -59.15 124.98 21.75 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -106.85 35.66 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.772 ' NE1' HD21 ' A' ' 24' ' ' LEU . 5.5 m95 -78.98 131.72 36.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -44.25 77.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.719 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.34 4.7 41.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 7.5 t -109.33 122.34 39.88 Favored Pre-proline 0 C--N 1.331 -0.216 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.868 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.4 Cg_endo -102.15 31.8 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.595 2.863 . . . . 0.0 112.404 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -134.88 143.55 47.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.034 0.445 . . . . 0.0 111.691 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -122.93 163.9 19.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.464 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.834 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -109.51 156.1 20.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.344 . . . . 0.0 110.792 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER -94.2 -12.74 27.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.803 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -141.38 163.25 33.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.518 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.58 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 9.7 tp -56.66 -39.73 74.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.237 0.542 . . . . 0.0 110.489 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -70.46 -34.5 72.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.529 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.834 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 1.2 m-20 -59.27 -45.31 91.57 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.825 ' HB3' HD23 ' A' ' 3' ' ' LEU . 3.1 tt -69.69 -39.95 76.63 Favored 'General case' 0 CA--C 1.523 -0.061 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.3 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 20.1 tt0 -57.9 -48.63 79.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.789 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -33.97 67.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.513 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.433 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 3.8 t60 -69.03 -47.74 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.972 HD13 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -69.3 -41.05 77.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.527 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -66.58 -46.28 76.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.668 -179.259 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -79.33 -41.5 27.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 33.0 t0 -83.81 -45.62 13.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.66 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.5 m-70 -99.32 -15.28 18.88 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -177.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 24' ' ' LEU . 3.4 t -123.71 37.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.41 0.624 . . . . 0.0 110.862 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 t -65.85 -19.93 66.06 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.281 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 43.85 95.36 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.701 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.27 -32.75 38.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -111.63 -42.58 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? 63.83 105.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -96.06 120.86 62.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.95 -31.65 2.23 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.486 2.124 . . . . 0.0 112.504 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -86.04 -35.68 20.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.099 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -85.06 114.84 58.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.036 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.65 155.24 22.4 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.613 2.209 . . . . 0.0 112.536 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.818 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -90.99 111.91 23.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.49 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -103.72 152.72 21.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.01 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.7 t -60.23 142.44 54.51 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.493 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.3 m120 -107.79 37.77 2.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.765 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.4 148.31 22.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.167 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.91 -55.49 14.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.25 -25.29 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.9 t -63.85 139.96 58.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 0.0 111.837 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -119.65 24.62 10.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.378 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 21.3 t80 -63.77 142.87 58.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.005 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 2.6 tt -134.1 147.2 50.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.055 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -141.55 169.09 25.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.43 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -91.75 -32.13 15.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 111.076 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.6 166.4 23.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -59.64 -33.54 71.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.79 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.09 -36.66 82.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.5 m -60.56 -33.44 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.818 HD11 ' HB3' ' A' ' 40' ' ' LEU . 58.8 mt -72.21 -47.63 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 55' ' ' ALA . 10.2 m -55.8 -34.7 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.75 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.567 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 15.1 t-20 -68.4 -40.3 81.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.564 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 15.4 t60 -70.71 -44.55 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.857 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.972 HG21 HD13 ' A' ' 24' ' ' LEU . 1.5 mt -57.83 -45.01 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.43 -38.79 90.95 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.209 -179.083 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.5 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.6 -45.25 17.62 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -94.5 -18.23 21.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.588 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 94.3 m-70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.68 0.276 . . . . 0.0 111.124 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.904 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.98 138.08 32.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.409 0.623 . . . . 0.0 111.014 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -110.67 113.65 26.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.172 -178.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.728 ' N ' HD21 ' A' ' 20' ' ' LEU . 13.1 t -58.25 125.04 21.54 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 6.75 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.674 ' NE1' HD21 ' A' ' 24' ' ' LEU . 12.9 m95 -74.94 131.61 40.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -33.54 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.735 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -87.14 2.94 48.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.515 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 42.4 t -109.52 122.7 38.64 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 54.4 Cg_endo -98.98 20.19 0.33 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.336 2.691 . . . . 0.0 112.646 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 143.42 34.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 0.0 111.803 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 p -117.45 163.21 16.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.714 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.895 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -112.46 156.32 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.392 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -93.48 -29.69 15.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.9 m -141.76 161.66 37.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.626 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' A' ' 3' ' ' LEU . 24.8 tp -50.78 -31.6 17.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.088 0.471 . . . . 0.0 110.358 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -70.2 -34.6 73.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.623 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.895 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 1.3 m-20 -59.21 -45.33 91.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.708 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.904 ' HG ' HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -64.52 -45.74 85.88 Favored 'General case' 0 N--CA 1.458 -0.044 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.665 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 4.8 tt0 -57.93 -48.13 80.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.721 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -72.02 -35.86 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 5.2 t60 -69.22 -47.71 64.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.006 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -67.55 -41.6 84.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.241 -179.526 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.811 HD23 ' N ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -66.34 -46.42 76.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.483 -179.31 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.811 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -79.23 -40.81 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.944 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 13.0 t0 -84.06 -45.96 12.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.914 ' HB2' HD23 ' A' ' 24' ' ' LEU . 95.0 m-70 -99.93 -15.06 18.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -177.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 24' ' ' LEU . 3.2 t -123.6 40.04 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.331 0.586 . . . . 0.0 110.93 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 7.6 t -70.1 -20.17 63.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.38 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 30' ' ' SER . 2.4 pt20 32.76 91.8 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.121 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.11 -32.27 59.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -65.48 144.31 57.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -98.09 67.24 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -80.39 120.92 80.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.16 -45.25 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.477 2.118 . . . . 0.0 112.32 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.3 ttt -140.06 100.14 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -165.66 114.31 0.8 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.87 154.13 28.11 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.424 2.082 . . . . 0.0 112.292 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.864 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -106.01 143.66 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.815 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.834 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -117.98 152.04 36.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.639 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.4 t -60.52 142.47 55.25 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.409 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 5.8 m120 -108.53 35.92 3.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.512 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.6 148.25 22.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.503 178.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.7 -45.5 91.92 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -101.09 -26.19 13.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.5 t -73.13 140.05 46.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.058 0.456 . . . . 0.0 111.829 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.0 25.87 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.166 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.592 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 46.8 t80 -63.91 142.72 58.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.31 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -140.4 138.92 35.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.701 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.13 169.14 21.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.656 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -85.61 -31.47 22.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.775 0.321 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.61 173.93 11.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.993 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.791 HG22 ' CD1' ' A' ' 40' ' ' LEU . 56.9 p -64.54 -37.64 88.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.783 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.873 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.86 -36.93 84.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 p -60.47 -33.63 72.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.864 ' CD1' HD22 ' A' ' 40' ' ' LEU . 77.9 mt -71.6 -46.17 63.98 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.563 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.873 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.6 m -55.27 -34.62 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.555 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 12.2 t-20 -69.99 -41.76 73.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.272 0.558 . . . . 0.0 109.538 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.592 ' CD2' ' CD2' ' A' ' 49' ' ' PHE . 23.8 t60 -70.2 -45.08 67.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.244 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -58.3 -45.01 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.55 -38.78 90.58 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.986 -179.485 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.502 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.47 -45.38 17.65 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.51 -17.56 22.29 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 92.8 m-70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 15' ' ' SER . 2.5 p30 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.687 0.279 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.945 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -107.15 137.33 45.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.505 0.669 . . . . 0.0 111.367 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.81 113.46 26.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.974 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.75 ' N ' HD21 ' A' ' 20' ' ' LEU . 24.3 t -58.7 125.34 23.05 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.24 22.36 6.89 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.481 ' NE1' HD21 ' A' ' 24' ' ' LEU . 10.7 m95 -83.15 131.62 35.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.359 . . . . 0.0 110.213 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.2 -44.17 89.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.8 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.21 0.84 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.797 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 28.1 t -109.42 122.27 39.99 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 49.0 Cg_endo -101.06 20.73 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.531 2.82 . . . . 0.0 112.558 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.06 143.42 43.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.066 0.46 . . . . 0.0 111.782 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -121.48 163.48 18.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.584 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.721 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -110.53 156.15 21.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 111.187 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -95.23 -14.8 23.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.649 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 t -141.47 151.1 43.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.682 ' HA ' HD23 ' A' ' 3' ' ' LEU . 12.2 tp -51.05 -35.81 36.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.124 0.488 . . . . 0.0 110.431 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -70.18 -33.82 72.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.243 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.721 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 2.9 m-20 -58.57 -44.24 89.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.945 ' HG ' HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -58.58 -40.57 83.54 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.626 179.696 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.458 ' HG3' ' HB ' ' A' ' 58' ' ' VAL . 3.7 tt0 -59.95 -48.74 80.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.222 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -69.28 -38.66 78.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.002 0.43 . . . . 0.0 110.583 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.8 t60 -69.31 -47.27 64.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.93 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -69.35 -42.68 74.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.211 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.832 HD13 ' CG1' ' A' ' 58' ' ' VAL . 9.0 tp -66.49 -45.4 79.75 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.975 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -78.6 -41.56 31.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 7.6 t0 -83.8 -45.42 13.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.923 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.9 m-70 -98.73 5.66 47.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.43 ' HB ' ' HA ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -139.84 120.21 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.299 0.571 . . . . 0.0 111.552 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -26.47 60.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.862 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 44.79 77.04 0.08 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.553 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.17 -37.99 16.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.811 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 61.93 -175.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.06 40.5 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -96.03 133.16 25.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.04 -49.02 18.53 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.435 2.09 . . . . 0.0 112.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.9 ptp -175.42 47.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.716 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -112.7 93.56 24.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.019 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.82 154.37 26.79 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.538 2.159 . . . . 0.0 112.184 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.867 ' HB3' HD11 ' A' ' 57' ' ' ILE . 2.1 tp -91.66 149.09 21.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.774 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . . . -126.58 152.0 47.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.104 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.9 142.72 56.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.67 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -107.91 36.33 2.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.879 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.473 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.3 148.07 22.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.203 179.041 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -44.37 91.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -101.22 -26.06 13.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.7 t -73.96 139.85 45.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 0.0 112.039 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -120.36 25.05 10.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.052 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 17.7 t80 -63.91 142.57 58.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.291 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.573 ' CD1' ' HB2' ' A' ' 41' ' ' ALA . 10.1 tp -137.18 136.24 38.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.744 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.93 169.04 21.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.17 -32.12 61.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.303 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -149.01 171.98 15.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.814 ' OG1' HD11 ' A' ' 25' ' ' LEU . 2.3 t -57.08 -48.92 77.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.885 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -55.22 -37.0 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.911 0.386 . . . . 0.0 110.668 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -63.17 -33.36 75.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.912 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.867 HD11 ' HB3' ' A' ' 40' ' ' LEU . 58.0 mt -71.23 -44.7 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.071 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.885 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.3 m -55.2 -34.36 32.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.59 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.549 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 9.4 t-20 -67.69 -41.64 83.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.559 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 8.6 t60 -70.45 -43.01 70.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.753 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.93 HG21 HD13 ' A' ' 24' ' ' LEU . 1.7 mt -57.45 -45.55 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.825 -179.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.87 -36.65 84.01 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.054 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.17 -45.49 18.01 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.411 ' HB2' ' CE1' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -94.8 -17.86 21.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.18 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.633 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.8 m-70 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.827 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.674 0.274 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.81 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -86.05 131.96 34.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.403 0.62 . . . . 0.0 111.052 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.68 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -110.54 113.43 26.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.058 -179.085 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.945 ' HB2' HD21 ' A' ' 20' ' ' LEU . 1.7 t -58.85 125.18 22.48 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.449 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 11.3 tttp -90.08 11.88 19.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.559 ' NE1' HD21 ' A' ' 24' ' ' LEU . 15.9 m95 -73.01 131.74 42.52 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.221 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -38.28 87.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.205 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -87.23 6.09 34.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.935 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 15.2 t -109.24 122.05 40.82 Favored Pre-proline 0 CA--C 1.53 0.205 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.621 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 45.9 Cg_endo -101.65 11.87 0.43 Allowed 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.542 2.828 . . . . 0.0 112.575 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -103.6 143.32 32.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.015 0.436 . . . . 0.0 111.872 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.1 m -115.75 163.11 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.538 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.888 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -115.39 156.2 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.284 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.28 -23.72 18.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.221 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -141.15 159.14 42.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.773 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.743 ' HA ' HD23 ' A' ' 3' ' ' LEU . 3.2 tp -50.53 -39.47 49.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.2 0.524 . . . . 0.0 110.612 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -33.8 76.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.987 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.888 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 1.1 m-20 -58.49 -46.09 87.39 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.668 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.945 HD21 ' HB2' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -74.05 -39.24 63.63 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.404 178.704 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HG2' HG22 ' A' ' 58' ' ' VAL . 1.6 mt-30 -57.08 -48.67 78.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.74 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -72.98 -43.11 62.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.543 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.3 t60 -58.83 -40.56 84.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.444 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.912 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -64.61 -44.71 89.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.488 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 1.9 mp -66.39 -44.51 82.87 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.506 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -78.65 -41.37 31.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 12.1 t70 -83.1 -45.34 14.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.661 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 95.6 m-70 -92.69 5.21 51.89 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.488 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 33.0 t -146.0 94.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.338 0.589 . . . . 0.0 111.127 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.8 t -73.28 -29.61 62.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 61.58 108.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.97 -38.45 91.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.456 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.53 -167.57 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -76.67 103.89 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -72.91 139.07 79.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.71 -37.18 7.21 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.457 2.104 . . . . 0.0 112.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.8 53.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.782 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -109.33 99.02 34.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.58 154.02 26.87 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.14 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.801 HD13 HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -97.96 105.27 17.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -84.93 152.11 23.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.027 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 1.2 t -60.42 142.34 55.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.474 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.5 m120 -109.61 35.97 3.14 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.092 -0.503 . . . . 0.0 112.013 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.693 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -94.52 148.35 22.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.061 0.458 . . . . 0.0 110.735 179.194 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -52.62 -51.87 58.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.76 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.23 -15.7 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 6.5 t -77.93 135.26 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.112 0.482 . . . . 0.0 111.937 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -113.37 16.74 18.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.298 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 12.2 t80 -63.86 143.11 58.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.55 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -137.32 139.4 40.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.02 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.07 156.4 21.19 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.391 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.7 -32.28 60.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.301 . . . . 0.0 111.576 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.745 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -136.37 154.53 50.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.899 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.801 HG22 HD13 ' A' ' 40' ' ' LEU . 18.8 p -53.39 -38.99 63.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -67.91 -35.39 78.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.354 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 2.8 m -71.99 -45.36 61.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 110.257 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.781 HG21 ' HB3' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -64.22 -48.05 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.119 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 21' ' ' GLN . 10.9 p -55.58 -34.87 36.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.051 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 15.3 t-20 -58.21 -39.61 79.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 3.2 t60 -70.89 -41.86 70.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.582 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.912 HG21 HD13 ' A' ' 24' ' ' LEU . 4.0 mt -57.91 -44.18 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.227 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.717 ' OD1' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.94 -36.78 84.29 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.976 -179.679 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.491 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -79.57 -43.72 22.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.982 0.42 . . . . 0.0 112.015 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.488 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 38.0 mm-40 -93.39 -12.64 29.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.957 -178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.665 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 61.5 m-70 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.676 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' SER . 4.3 p30 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.679 0.276 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.978 HD12 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -85.73 139.82 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.257 0.551 . . . . 0.0 110.832 179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.13 112.32 24.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.654 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.8 t -59.76 125.45 23.71 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 0.53 27.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.726 ' NE1' HD21 ' A' ' 24' ' ' LEU . 13.2 m95 -72.9 131.75 42.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.763 0.316 . . . . 0.0 110.25 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -76.61 -35.12 58.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.426 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.03 9.88 18.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.567 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 52.4 t -109.34 122.87 38.3 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.603 0.239 . . . . 0.0 111.274 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 56.9 Cg_endo -98.47 24.49 0.22 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.316 2.677 . . . . 0.0 112.612 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -121.92 143.28 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 111.599 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -114.72 163.34 15.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.887 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.888 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . . . -110.72 157.64 19.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 70.9 m -91.6 -33.43 15.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.422 ' C ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -141.29 170.47 15.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.968 0.413 . . . . 0.0 111.758 -179.279 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' HA ' ' HG ' ' A' ' 3' ' ' LEU . 58.8 tp -50.77 -43.15 58.38 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -67.41 -35.42 79.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.613 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.839 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 8.5 t0 -60.9 -45.6 93.96 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.119 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.978 HD12 HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -62.81 -39.87 95.62 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.777 178.666 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.02 -48.27 71.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.214 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -42.3 71.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 4.0 t60 -59.33 -47.14 86.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.927 HD23 ' HB2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -69.17 -41.84 76.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.454 -179.703 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -66.18 -46.32 77.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.43 -179.157 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -80.0 -41.75 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 5.2 t70 -84.08 -46.38 12.03 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.927 ' HB2' HD23 ' A' ' 24' ' ' LEU . 98.1 m-70 -91.1 5.19 49.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -166.07 69.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.423 0.63 . . . . 0.0 111.18 179.591 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.3 t -73.3 -19.76 60.96 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.467 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 76.89 123.06 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.67 -38.36 58.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.028 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.15 -160.31 1.15 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.832 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -123.97 97.77 5.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -78.66 139.03 58.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.5 -38.99 3.98 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.467 2.111 . . . . 0.0 112.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ttm -154.03 82.15 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.07 91.31 3.17 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 9.7 Cg_endo -55.64 155.02 23.1 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.538 2.159 . . . . 0.0 112.62 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' A' ' 54' ' ' THR . 1.5 pt? -111.29 149.05 31.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.457 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.708 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . . . -108.0 154.34 21.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.158 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.465 ' HB2' ' HD1' ' A' ' 49' ' ' PHE . 1.8 t -58.9 142.36 50.95 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -106.86 38.48 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.53 148.14 22.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.831 0.348 . . . . 0.0 110.173 178.669 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.7 -44.88 86.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.49 -26.04 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 7.3 t -72.23 133.97 45.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.183 0.516 . . . . 0.0 112.257 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -114.51 22.82 13.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.607 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 25.4 t80 -64.02 142.47 58.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.466 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.708 ' CD1' ' HB2' ' A' ' 41' ' ' ALA . 6.0 tp -136.78 143.45 43.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.526 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.04 162.98 23.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.684 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HA ' ' HB3' ' A' ' 39' ' ' PRO . 7.9 t0 -81.08 -32.05 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.58 ' C ' HD21 ' A' ' 40' ' ' LEU . 24.2 t70 -135.35 165.93 24.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.673 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -57.7 -39.44 77.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.762 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.18 -36.23 81.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.338 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.4 m -57.37 -33.98 68.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.73 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.694 ' O ' HG13 ' A' ' 61' ' ' ILE . 19.0 mt -72.48 -47.58 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.594 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.8 m -55.84 -34.72 37.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.737 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.565 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 15.0 t-20 -66.32 -42.22 88.54 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 5.9 t60 -70.51 -41.06 73.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.651 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.853 HG21 HD13 ' A' ' 24' ' ' LEU . 1.8 mt -58.6 -44.83 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.977 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.565 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.83 -36.9 84.75 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.004 -179.363 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.78 -44.65 18.23 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 42.1 mm-40 -94.0 -19.26 21.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.274 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 89.1 m-70 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.705 0.288 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.891 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.85 136.79 32.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.402 0.62 . . . . 0.0 111.084 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -110.9 113.0 25.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.62 -178.72 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.75 ' CA ' HD21 ' A' ' 20' ' ' LEU . 3.7 t -59.28 125.46 23.71 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -94.36 22.5 5.99 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.652 ' CE2' HD21 ' A' ' 24' ' ' LEU . 13.5 m95 -83.08 131.67 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 110.128 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -39.87 91.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.536 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.05 6.14 34.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.875 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 15.6 t -109.43 122.13 40.39 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.655 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.9 Cg_endo -102.39 17.49 0.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.616 2.878 . . . . 0.0 112.728 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -111.69 143.5 42.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.027 0.441 . . . . 0.0 111.855 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -112.4 163.34 14.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.728 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.936 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.91 156.34 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.354 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 t -94.88 -25.92 16.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.427 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 1.9 m -141.33 159.56 41.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.578 ' HA ' HD23 ' A' ' 3' ' ' LEU . 21.7 tp -50.52 -44.19 56.12 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.157 0.503 . . . . 0.0 110.294 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -61.93 -33.65 74.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.213 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.936 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 23.4 t0 -58.5 -45.37 88.89 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.293 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.891 ' HG ' HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -67.41 -45.44 76.14 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.095 178.685 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -47.46 82.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.799 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -72.08 -38.05 69.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 2.7 t60 -68.97 -47.41 65.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.998 HD13 HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -66.6 -42.92 86.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.919 0.39 . . . . 0.0 111.71 -179.381 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 HG11 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -66.29 -46.1 78.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.423 -179.282 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -79.7 -41.66 26.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 18.1 t0 -83.44 -45.52 13.55 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -177.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.79 ' HB2' HD23 ' A' ' 24' ' ' LEU . 96.7 m-70 -89.83 5.76 44.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 31' ' ' GLN . 88.6 t -149.77 104.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.406 0.622 . . . . 0.0 111.108 179.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 t -73.09 -23.43 60.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HG2' HG12 ' A' ' 29' ' ' VAL . 3.9 mt-30 60.94 84.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.675 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -32.78 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 61.14 -177.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tptt 64.06 28.73 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -96.15 120.84 62.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.782 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.34 -49.09 13.17 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.404 2.069 . . . . 0.0 112.29 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.0 ttt -162.56 88.75 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.747 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -149.03 92.35 4.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.63 154.38 25.64 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.478 2.119 . . . . 0.0 112.229 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.838 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -91.73 131.36 37.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.587 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -114.6 152.64 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.848 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.565 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.9 t -60.12 142.51 54.1 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.411 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 5.9 m120 -108.67 36.13 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.49 148.1 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.898 0.38 . . . . 0.0 110.311 178.87 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -45.99 83.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -101.21 -26.06 13.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.4 t -72.72 135.82 45.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.067 0.46 . . . . 0.0 111.923 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -113.61 25.86 10.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.062 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 42.4 t80 -63.95 142.45 58.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.294 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.587 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -138.53 140.47 39.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.855 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.51 169.29 23.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.555 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.81 -32.09 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.313 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -142.22 171.8 13.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.596 ' CG2' HD13 ' A' ' 40' ' ' LEU . 40.2 p -60.01 -38.89 83.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.761 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -60.64 -36.8 79.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.002 0.43 . . . . 0.0 111.07 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -63.71 -33.5 75.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.208 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.838 HD11 ' HB3' ' A' ' 40' ' ' LEU . 80.8 mt -72.32 -47.63 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 55' ' ' ALA . 6.3 m -55.31 -34.58 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.538 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 14.3 t-20 -69.35 -44.35 71.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.766 178.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.563 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 10.6 t60 -70.11 -44.49 68.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.058 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.998 HG21 HD13 ' A' ' 24' ' ' LEU . 2.7 mt -57.79 -44.81 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.044 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.91 -36.52 83.62 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.015 -179.547 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.506 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.88 -44.5 18.25 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.498 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 45.2 mm-40 -93.96 -17.99 22.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.191 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.638 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.2 m-70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.803 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.75 0.31 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.881 ' CD1' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.98 134.49 33.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.456 0.646 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 113.13 25.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.325 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 6.3 t -59.08 125.3 23.04 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 21.63 7.86 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.651 ' CZ2' HD21 ' A' ' 24' ' ' LEU . 14.6 m95 -80.69 131.83 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -65.03 -40.13 94.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.609 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -87.13 6.54 32.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 17.6 t -109.4 122.38 39.68 Favored Pre-proline 0 CA--C 1.53 0.174 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.666 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.9 Cg_endo -101.82 20.41 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.541 2.827 . . . . 0.0 112.559 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -116.18 143.38 45.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.066 0.46 . . . . 0.0 111.744 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.0 p -114.26 163.43 15.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.548 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.948 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.57 156.1 21.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -94.73 -23.83 17.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.68 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -141.49 157.98 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.64 0.257 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HA ' HD23 ' A' ' 3' ' ' LEU . 31.5 tp -50.58 -44.08 56.72 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.175 0.512 . . . . 0.0 110.072 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.43 -33.92 76.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.963 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.948 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 6.6 t70 -58.72 -45.34 89.81 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.994 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.881 HD22 ' CD1' ' A' ' 3' ' ' LEU . 4.2 tp -63.37 -46.08 88.16 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 120.124 -0.63 . . . . 0.0 109.727 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -57.88 -45.57 86.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.86 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -72.09 -38.78 69.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.664 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.5 t60 -69.19 -47.54 64.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.95 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -66.29 -43.82 85.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.841 0.353 . . . . 0.0 111.559 -179.362 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.31 -45.93 78.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.453 -179.242 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -79.18 -41.42 28.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 29.9 t0 -83.3 -45.74 13.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.726 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.5 m-70 -93.18 5.5 51.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.472 HG11 HG23 ' A' ' 54' ' ' THR . 34.2 t -151.74 91.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.193 0.52 . . . . 0.0 111.012 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -56.91 -31.88 65.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 61.81 73.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.99 -38.3 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.42 -165.03 0.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.717 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -122.97 81.98 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB2' ' HG2' ' A' ' 38' ' ' GLU . 17.0 m-70 -88.55 120.91 70.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.15 -35.19 2.49 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.508 2.139 . . . . 0.0 112.455 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.0 ttt -57.84 -29.12 64.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 35' ' ' HIS . 0.6 OUTLIER -117.63 93.56 43.81 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.033 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.68 155.02 23.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.774 2.316 . . . . 0.0 112.202 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.845 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -90.82 105.61 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.125 0.488 . . . . 0.0 110.452 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -102.8 152.35 21.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.981 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.577 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 4.2 t -60.56 142.46 55.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.501 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.424 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 5.9 m120 -108.5 39.11 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.542 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.5 148.19 22.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.935 0.397 . . . . 0.0 110.386 178.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -52.32 42.91 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -101.27 -26.13 13.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.8 t -66.49 138.94 57.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.122 0.487 . . . . 0.0 111.85 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.75 27.11 8.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.139 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.577 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 26.9 t80 -63.83 142.57 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.278 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -133.36 144.95 49.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.797 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.42 169.09 24.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.574 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -83.41 -32.0 26.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -144.27 179.15 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.472 HG23 HG11 ' A' ' 29' ' ' VAL . 9.5 m -65.77 -41.35 92.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.788 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -59.52 -36.86 76.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.977 0.418 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -63.17 -33.31 75.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.216 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.845 ' CD1' HD12 ' A' ' 40' ' ' LEU . 57.5 mt -71.95 -47.32 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.72 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.788 HG22 ' O ' ' A' ' 55' ' ' ALA . 4.0 m -55.52 -34.25 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.629 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.539 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 15.8 t-20 -68.86 -41.77 77.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.505 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.55 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 8.0 t60 -70.25 -44.76 67.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.856 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.95 HG21 HD13 ' A' ' 24' ' ' LEU . 1.5 mt -57.75 -44.1 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.58 -37.36 86.43 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.946 -179.412 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.504 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.41 -44.31 19.53 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 15.9 mm-40 -93.8 -17.27 23.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.24 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.5 m-70 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.69 0.281 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.882 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -93.12 139.09 30.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.441 0.639 . . . . 0.0 111.111 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.55 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -110.52 113.05 25.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.388 -178.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.808 ' N ' HD21 ' A' ' 20' ' ' LEU . 2.3 t -59.0 125.85 25.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -86.65 15.73 5.37 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.83 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.722 ' HE1' HD21 ' A' ' 24' ' ' LEU . 15.3 m95 -82.7 131.67 35.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 110.289 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -37.95 80.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.585 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -87.32 9.97 18.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.765 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 t -109.37 122.17 40.35 Favored Pre-proline 0 C--N 1.331 -0.211 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.544 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -101.96 15.23 0.33 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.56 2.84 . . . . 0.0 112.807 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -110.75 143.44 41.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.054 0.454 . . . . 0.0 111.933 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.5 p -116.09 163.14 16.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.652 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.653 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -111.49 156.36 21.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.398 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.7 p -92.7 -22.93 19.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.262 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -141.28 157.54 45.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 110.978 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' ' 3' ' ' LEU . 9.7 tp -50.94 -37.41 44.13 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.028 0.442 . . . . 0.0 110.862 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -68.51 -34.47 75.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.219 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.653 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 7.3 m-20 -59.21 -45.08 92.04 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.882 ' HG ' HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -63.5 -44.32 94.68 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 120.139 -0.625 . . . . 0.0 110.594 179.554 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.494 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 3.8 tt0 -57.98 -49.73 75.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.678 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -68.21 -46.38 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.444 -179.498 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -59.06 -34.74 72.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.897 HD13 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -70.0 -49.36 52.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.759 -179.596 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.741 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -62.46 -44.76 95.63 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.803 -179.034 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 1.6 pttp -79.37 -42.01 26.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 t70 -84.09 -41.6 16.97 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -177.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 95.5 m-70 -93.09 -2.32 55.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 25' ' ' LEU . 7.7 m -157.37 91.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.274 0.559 . . . . 0.0 111.886 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.9 t -64.68 -19.59 65.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.039 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 80.07 84.94 0.05 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.77 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -63.07 -21.57 66.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.272 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 1.3 m-85 73.59 -57.24 0.63 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.226 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.47 80.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.796 0.332 . . . . 0.0 110.974 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' PHE . 74.9 m80 -96.24 139.34 21.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.65 -48.81 15.35 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.559 2.173 . . . . 0.0 112.062 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mtm -108.35 -73.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.655 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' CB ' ' HD3' ' A' ' 39' ' ' PRO . 2.3 mt-10 171.34 -54.16 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 38' ' ' GLU . 38.3 Cg_exo -60.78 154.28 56.66 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.501 2.134 . . . . 0.0 112.485 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.901 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -116.6 149.27 39.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.55 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -117.36 151.95 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.0 t -60.77 142.55 55.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.587 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -109.44 38.25 2.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.41 148.24 22.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.861 0.363 . . . . 0.0 110.267 178.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.29 -50.15 67.97 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -101.33 -26.19 13.7 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 12.7 t -70.12 138.65 52.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.084 0.469 . . . . 0.0 111.93 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -117.16 27.82 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.035 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.612 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 41.0 t80 -63.94 142.77 58.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.314 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.2 tt -140.18 136.98 34.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.786 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.87 168.88 21.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.71 -28.98 30.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -141.04 169.82 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.425 ' HA ' HD12 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -62.93 -46.24 88.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.872 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.4 -36.96 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -59.82 -33.52 71.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.644 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.901 HD11 ' HB3' ' A' ' 40' ' ' LEU . 34.3 mt -71.45 -42.97 73.05 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.534 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' ' 55' ' ' ALA . 1.7 m -55.5 -34.41 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.113 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 10.9 t-20 -69.3 -41.01 77.34 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.245 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.612 ' CD2' ' CD2' ' A' ' 49' ' ' PHE . 17.4 t60 -70.18 -43.61 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.801 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.897 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.64 -45.61 86.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.88 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.77 -37.6 86.76 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.096 -179.449 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.37 -45.5 17.64 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.78 -16.2 23.19 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.58 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 90.6 m-70 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 15' ' ' SER . 18.5 t0 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.715 0.293 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.88 HD23 ' CB ' ' A' ' 20' ' ' LEU . 5.8 tp -111.14 129.26 55.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.547 0.689 . . . . 0.0 111.223 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -110.63 113.66 26.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.799 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.697 ' HA ' HD11 ' A' ' 20' ' ' LEU . 29.4 t -58.18 125.16 22.03 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -100.39 28.69 4.83 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 7.9 m95 -82.24 131.63 35.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -64.69 -40.67 95.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.595 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -86.98 5.66 36.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.699 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 36.0 t -109.67 122.58 38.84 Favored Pre-proline 0 C--N 1.332 -0.187 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 53.1 Cg_endo -101.26 34.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.49 2.794 . . . . 0.0 112.423 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.92 143.45 48.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.104 0.478 . . . . 0.0 111.882 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 p -115.06 163.94 14.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.558 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.972 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.14 156.34 20.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER -91.35 -26.65 18.81 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.55 165.16 28.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 111.408 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.778 ' HA ' HD22 ' A' ' 3' ' ' LEU . 11.9 tp -52.83 -36.79 59.21 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 121.255 0.55 . . . . 0.0 110.264 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -70.74 -34.71 72.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.09 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.972 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 43.2 t0 -59.44 -45.46 91.5 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.88 ' CB ' HD23 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -67.87 -42.43 81.3 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.312 179.298 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 7.3 tt0 -57.99 -48.41 80.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -39.52 77.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.438 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.6 t60 -69.33 -47.19 65.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.923 HD13 HG21 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -69.3 -43.83 73.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.265 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -66.15 -46.0 79.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.74 0.305 . . . . 0.0 111.726 -178.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -79.09 -41.95 27.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 5.2 t70 -84.15 -45.44 12.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.842 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.2 m-70 -91.74 5.92 47.94 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.605 HG11 HD21 ' A' ' 40' ' ' LEU . 41.4 t -135.69 96.02 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-O 121.617 0.722 . . . . 0.0 111.647 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.0 t -61.5 -19.48 62.12 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.883 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 80.5 -179.67 0.09 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 2.6 m-20 -62.72 -38.08 89.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.351 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.1 t80 68.1 -67.27 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.54 33.85 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' A' ' 32' ' ' ASP . 2.5 m-70 -83.73 139.17 40.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.97 -45.0 1.62 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.543 2.162 . . . . 0.0 112.239 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.0 mtt -163.62 76.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.95 104.76 35.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.69 154.49 25.53 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.528 2.152 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.977 HD23 HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -91.61 111.01 22.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.71 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.717 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -108.81 152.86 24.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.891 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.614 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 3.5 t -60.05 142.49 53.95 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.772 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.429 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 5.7 m120 -112.35 40.86 2.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.125 -178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.594 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.31 148.19 22.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.368 179.124 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -50.94 58.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.23 -26.14 13.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.5 t -68.76 136.81 53.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.129 0.49 . . . . 0.0 111.819 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.69 25.08 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.146 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.614 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 33.2 t80 -63.9 142.32 58.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.182 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -133.49 141.27 47.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.908 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.8 169.12 22.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.396 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -93.29 -31.99 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -134.7 169.13 17.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.934 ' HA ' HD22 ' A' ' 40' ' ' LEU . 42.3 p -60.82 -36.93 80.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.655 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.06 -36.29 81.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.313 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -33.73 72.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.977 HD12 HD23 ' A' ' 40' ' ' LEU . 34.4 mt -72.45 -48.73 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 55' ' ' ALA . 35.7 m -55.82 -34.64 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.441 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 15.8 t-20 -66.32 -41.71 89.26 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 7.4 t60 -70.76 -44.02 67.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.798 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.923 HG21 HD13 ' A' ' 24' ' ' LEU . 1.7 mt -61.2 -43.56 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -65.94 -38.48 88.74 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.858 -179.619 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.39 -44.86 18.68 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -19.45 20.76 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.633 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 95.6 m-70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.707 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.651 0.262 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.029 HD12 HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -86.32 138.21 32.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.422 0.63 . . . . 0.0 110.866 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -110.91 113.23 25.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.556 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.779 ' HA ' HD11 ' A' ' 20' ' ' LEU . 2.0 t -59.23 125.25 22.86 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 7.08 29.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.459 ' NE1' HD21 ' A' ' 24' ' ' LEU . 15.1 m95 -73.05 131.52 42.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.137 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -70.21 -36.85 74.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.353 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -87.08 7.56 27.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.602 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.1 t -109.34 122.4 39.7 Favored Pre-proline 0 C--N 1.331 -0.203 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.538 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 45.3 Cg_endo -100.83 18.06 0.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.531 2.821 . . . . 0.0 112.595 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.65 143.3 41.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.063 0.458 . . . . 0.0 111.8 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -113.42 163.47 14.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.659 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.895 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.61 156.17 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.077 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.8 p -95.87 -28.13 14.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.593 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 1.6 t -141.43 160.01 41.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.305 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.62 ' HA ' HD23 ' A' ' 3' ' ' LEU . 34.5 tp -50.74 -35.73 32.96 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.191 0.52 . . . . 0.0 110.304 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -70.27 -33.85 72.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.302 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.895 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 9.0 t70 -58.9 -44.81 91.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.716 -178.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.029 HD13 HD12 ' A' ' 3' ' ' LEU . 1.1 tp -58.82 -46.55 87.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.421 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 8.1 tt0 -60.08 -48.93 79.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.332 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.37 -46.18 89.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.037 0.446 . . . . 0.0 110.947 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.462 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.3 t60 -69.96 -45.5 67.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.249 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.99 HD13 HG21 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -69.71 -47.72 62.12 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.777 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.542 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -65.41 -44.51 87.17 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -177.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HG2' ' CD2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -79.1 -41.15 29.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 6.2 t0 -83.07 -42.01 17.95 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -176.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.736 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 92.9 m-70 -89.2 5.84 42.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.542 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 97.0 t -125.37 93.93 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.028 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -73.35 -29.77 62.88 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.314 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -56.93 96.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.019 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.08 -35.47 18.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -59.9 145.13 46.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -103.01 79.32 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -82.91 125.7 74.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.5 -27.45 7.65 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.459 2.106 . . . . 0.0 112.432 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -98.19 36.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -150.26 86.22 5.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.73 154.44 25.97 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.609 2.206 . . . . 0.0 112.474 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.856 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -91.65 118.92 31.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.713 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 50' ' ' LEU . . . -112.78 151.84 29.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.735 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -61.14 142.75 56.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.922 179.743 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.4 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 6.3 m120 -106.3 35.03 3.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.539 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.36 148.54 22.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.752 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -54.99 -50.75 68.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.341 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -101.34 -26.27 13.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.9 t -67.58 134.41 51.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.076 0.465 . . . . 0.0 111.732 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -114.32 24.81 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.202 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 15.0 t80 -63.94 142.19 58.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.211 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 41' ' ' ALA . 33.5 tp -139.7 143.82 37.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.78 169.06 23.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.415 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.24 -28.87 47.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.717 0.294 . . . . 0.0 111.264 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.19 178.29 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 58' ' ' VAL . 14.6 p -60.57 -31.01 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.656 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -64.44 -36.4 84.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.06 -33.75 76.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.485 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.856 ' CD1' HD12 ' A' ' 40' ' ' LEU . 81.1 mt -72.64 -48.32 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 55' ' ' ALA . 10.1 m -55.95 -37.5 48.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.984 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 17.9 t-20 -69.95 -43.74 70.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.545 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 13.1 t60 -70.09 -47.3 62.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.621 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.99 HG21 HD13 ' A' ' 24' ' ' LEU . 3.2 mt -57.7 -43.06 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.54 -37.84 87.88 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.668 -179.72 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.78 -44.3 18.79 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 13.4 mm100 -93.57 -15.79 25.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.137 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.644 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 86.9 m-70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.79 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 tttt . . . . . 0 N--CA 1.463 0.197 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.838 ' HB2' HD21 ' A' ' 20' ' ' LEU . 5.6 t -59.28 125.28 22.96 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.04 23.77 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.713 ' NE1' HD21 ' A' ' 24' ' ' LEU . 9.5 m95 -83.12 131.7 35.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.808 0.337 . . . . 0.0 110.302 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -40.23 94.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.558 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -87.07 4.66 41.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.953 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 22.7 t -109.38 122.09 40.58 Favored Pre-proline 0 C--N 1.332 -0.185 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.673 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.7 Cg_endo -102.08 19.15 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.588 2.858 . . . . 0.0 112.511 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -112.14 143.39 43.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.099 0.476 . . . . 0.0 111.823 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.8 p -114.18 163.54 15.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.625 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.93 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.63 156.03 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -92.27 -25.46 18.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.467 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.46 157.44 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.696 0.284 . . . . 0.0 111.058 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.45 -36.0 31.33 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.243 0.544 . . . . 0.0 110.073 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.32 -33.62 71.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.716 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.93 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 17.1 t0 -58.43 -44.9 89.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.186 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.897 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.65 -39.39 80.73 Favored 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.877 179.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 7.8 tt0 -57.54 -48.26 79.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.591 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -72.29 -35.39 68.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.557 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.5 t60 -69.12 -47.56 64.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.897 HD12 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.3 -42.4 75.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.876 0.37 . . . . 0.0 111.599 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -66.31 -46.6 76.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.676 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -80.08 -41.81 24.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 15.9 t70 -83.76 -45.2 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -176.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.871 ' HB2' HD23 ' A' ' 24' ' ' LEU . 96.7 m-70 . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.885 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.856 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -127.21 152.74 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.624 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -60.08 142.45 54.09 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.485 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.5 m-80 -107.55 35.11 3.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.262 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.45 148.22 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.444 179.008 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -57.52 -46.65 83.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -101.05 -20.3 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.4 t -78.07 138.44 38.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.175 0.512 . . . . 0.0 112.02 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.63 22.67 12.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.097 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 23.0 t80 -63.89 142.39 58.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.046 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.856 HD12 ' HB2' ' A' ' 41' ' ' ALA . 3.8 tp -139.43 143.11 37.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.95 169.0 24.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.82 -32.04 31.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.22 166.53 24.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.707 ' O ' HG13 ' A' ' 58' ' ' VAL . 2.9 t -60.17 -33.9 72.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -64.2 -36.87 85.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.0 m -63.78 -33.64 76.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.885 HD11 ' HB3' ' A' ' 40' ' ' LEU . 42.4 mt -72.53 -47.73 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.832 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.1 m -55.29 -34.64 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.625 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.552 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -68.92 -41.23 78.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.521 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 7.5 t60 -70.48 -43.92 68.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.913 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.821 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.77 -44.38 85.87 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.78 -37.08 85.35 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.089 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.59 -44.34 19.13 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.501 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 71.0 mm-40 -93.82 -18.8 21.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.21 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.637 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.2 m-70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.192 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.86 ' HA ' HD21 ' A' ' 20' ' ' LEU . 5.4 t -59.75 125.86 25.31 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 10.52 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.601 ' HE1' HD21 ' A' ' 24' ' ' LEU . 13.1 m95 -81.31 131.7 35.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.333 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -70.76 -39.89 72.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.665 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.08 12.21 11.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.6 t -109.4 122.63 38.95 Favored Pre-proline 0 CA--C 1.531 0.214 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.469 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 52.3 Cg_endo -99.74 18.58 0.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 123.385 2.723 . . . . 0.0 112.772 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -114.07 143.27 45.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.977 0.418 . . . . 0.0 111.58 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -115.15 162.99 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.894 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.805 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -112.81 157.4 21.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -91.28 -34.07 15.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.8 t -141.17 170.38 15.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.863 0.363 . . . . 0.0 111.523 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 tp -50.35 -40.47 49.28 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.672 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -35.34 73.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.964 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.805 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 6.3 t70 -62.7 -45.26 93.56 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.86 HD21 ' HA ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -63.33 -41.11 98.86 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.455 179.378 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.515 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 3.5 tt0 -66.12 -50.33 64.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.1 -46.4 89.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.439 . . . . 0.0 110.513 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.2 t60 -62.22 -34.11 75.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.833 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.825 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -69.56 -48.7 59.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.848 -179.664 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.554 HD12 ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.1 -44.83 83.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.627 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HG2' HD12 ' A' ' 25' ' ' LEU . 13.9 mttt -78.71 -41.71 30.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 18.1 t0 -83.37 -43.6 15.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.508 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.4 m-70 . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.003 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 121.053 0.454 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -118.45 153.03 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.908 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.58 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 4.0 t -59.51 142.52 52.37 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -106.99 38.72 2.03 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.55 148.29 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.934 0.397 . . . . 0.0 110.262 178.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -50.79 -52.3 42.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -101.31 -26.16 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.0 t -64.98 137.46 57.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.206 0.527 . . . . 0.0 112.048 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -117.02 25.21 10.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.035 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.58 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 40.0 t80 -63.79 142.8 58.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.259 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.2 tp -134.46 143.02 47.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.28 163.66 25.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.598 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.55 -30.24 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.702 0.286 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.801 ' C ' HD11 ' A' ' 40' ' ' LEU . 15.6 m-20 -133.77 166.5 22.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.517 ' N ' HD11 ' A' ' 40' ' ' LEU . 2.8 p -57.33 -49.06 77.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.681 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.8 -36.12 71.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -57.45 -36.54 71.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.713 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 1.003 ' CD1' HD12 ' A' ' 40' ' ' LEU . 78.8 mt -72.58 -47.77 49.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.647 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.2 m -55.86 -37.15 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.621 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -65.25 -42.56 93.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.545 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 9.2 t60 -70.17 -43.15 71.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.812 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.825 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.85 -44.17 85.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -65.64 -37.59 86.99 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.019 -179.45 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.65 -44.48 18.77 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.496 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 22.1 mm-40 -94.0 -15.56 24.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.205 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.631 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.0 m-70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.084 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.32 125.27 22.93 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.53 0.84 28.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.662 ' HE1' HD11 ' A' ' 24' ' ' LEU . 15.2 m95 -72.93 131.65 42.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.247 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -38.3 70.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.75 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -86.38 9.96 16.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.832 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.7 t -109.51 122.67 38.71 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 120.583 0.23 . . . . 0.0 111.447 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 52.0 Cg_endo -99.5 13.48 0.58 Allowed 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.399 2.733 . . . . 0.0 112.792 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.66 143.3 34.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.95 0.405 . . . . 0.0 111.667 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 t -115.53 163.15 16.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.913 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.847 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -111.72 156.85 21.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.068 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -89.38 -34.15 16.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.585 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 m -141.29 170.09 16.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.099 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -50.62 -35.55 30.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.988 0.423 . . . . 0.0 110.776 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -70.28 -35.36 73.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.991 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.847 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -59.83 -45.58 91.94 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.501 -179.036 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.505 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -63.09 -46.19 88.55 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.004 178.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.409 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -63.24 -43.34 98.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.23 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -70.79 -45.89 63.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.4 t60 -65.44 -47.08 77.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.051 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.944 HD13 HG21 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -64.02 -41.76 97.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.226 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.061 HD12 HG11 ' A' ' 58' ' ' VAL . 1.4 tt -66.33 -46.52 76.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.889 0.376 . . . . 0.0 111.597 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -79.18 -40.72 30.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 10.5 t70 -83.38 -45.39 13.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.824 ' HB2' HD23 ' A' ' 24' ' ' LEU . 96.8 m-70 . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.794 ' CD2' HG22 ' A' ' 54' ' ' THR . 5.6 tp . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.839 0.352 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -102.97 151.37 22.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.278 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.586 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.2 t -61.4 142.81 56.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.852 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.33 37.67 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.599 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.46 148.31 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.352 178.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -50.92 -53.62 31.23 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.41 -26.23 13.66 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.2 t -65.29 137.57 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.101 0.477 . . . . 0.0 111.82 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.29 28.11 8.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.08 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 28.2 t80 -63.84 142.83 58.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.329 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 15.8 tp -136.28 137.99 41.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.71 169.09 22.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.23 -30.4 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 111.117 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.12 -174.69 4.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.047 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.794 HG22 ' CD2' ' A' ' 40' ' ' LEU . 41.4 p -66.02 -40.62 91.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.75 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -59.98 -36.6 77.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -64.82 -32.71 74.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.36 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.79 HD11 ' HB3' ' A' ' 40' ' ' LEU . 73.3 mt -71.67 -47.7 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 1.061 HG11 HD12 ' A' ' 25' ' ' LEU . 24.7 m -55.22 -34.35 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.939 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.561 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.13 -43.13 74.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.586 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 15.5 t60 -70.44 -42.11 71.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.88 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.944 HG21 HD13 ' A' ' 24' ' ' LEU . 2.1 mt -60.22 -45.68 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.949 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -66.1 -37.29 85.39 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.062 -179.404 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.76 -44.48 18.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 23.2 mm-40 -93.95 -18.79 21.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.369 -178.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.577 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 90.7 m-70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.01 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.4 tttt . . . . . 0 N--CA 1.463 0.207 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.468 ' CB ' HD11 ' A' ' 20' ' ' LEU . 10.7 t -57.73 125.34 22.57 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -100.46 25.93 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.775 ' NE1' HD21 ' A' ' 24' ' ' LEU . 11.6 m95 -83.26 131.71 35.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.801 0.334 . . . . 0.0 110.614 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -66.72 -36.99 83.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 3.1 47.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.724 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 7' ' ' TRP . 11.5 t -109.32 122.4 39.71 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-O 120.612 0.244 . . . . 0.0 111.374 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 50.1 Cg_endo -100.14 34.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.348 2.699 . . . . 0.0 112.529 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.23 143.28 40.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.011 0.434 . . . . 0.0 111.677 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.2 p -121.32 163.4 18.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.506 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.783 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -110.64 155.32 22.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -13.02 23.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.3 m -142.37 154.6 44.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.703 0.287 . . . . 0.0 111.36 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.867 HD11 ' OD1' ' A' ' 62' ' ' ASN . 10.9 tp -52.1 -35.28 47.42 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.292 0.568 . . . . 0.0 110.392 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.91 -34.66 71.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.19 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.783 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 31.0 m-20 -59.35 -45.37 91.57 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -178.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.714 ' HG ' HD12 ' A' ' 24' ' ' LEU . 16.4 tp -72.09 -38.64 69.32 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.534 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HG2' HG21 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -56.29 -48.33 76.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 109.95 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -36.05 66.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 t60 -69.62 -47.67 62.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.362 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.026 HD13 HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -69.33 -49.14 58.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.989 0.423 . . . . 0.0 111.615 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -45.81 89.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.888 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -42.2 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 4.2 t0 -84.79 -46.3 11.51 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.678 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.1 m-70 . . . . . 0 C--N 1.33 -0.248 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.755 ' HB3' HG21 ' A' ' 57' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.9 0.381 . . . . 0.0 111.085 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' N ' HD13 ' A' ' 40' ' ' LEU . . . -105.02 151.71 23.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.836 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 142.42 55.61 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.416 -0.586 . . . . 0.0 109.416 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.477 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 m-80 -107.94 35.48 3.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.049 -177.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.657 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -94.59 148.34 22.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.032 0.444 . . . . 0.0 110.788 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -50.28 66.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.426 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.2 -26.19 13.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 5.8 t -67.07 133.95 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.482 . . . . 0.0 111.717 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.67 20.61 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.242 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 60' ' ' HIS . 11.0 t80 -63.98 142.67 58.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.262 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.903 HD22 ' N ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -134.74 139.06 44.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.073 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.903 ' N ' HD22 ' A' ' 50' ' ' LEU . . . -129.45 152.69 19.62 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.616 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -72.9 -32.13 65.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.699 0.285 . . . . 0.0 111.507 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.786 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -139.18 156.66 46.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.761 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.453 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 67.6 p -53.04 -38.23 62.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.822 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.49 ' HA ' HG12 ' A' ' 58' ' ' VAL . . . -68.2 -35.49 78.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.509 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 m -72.06 -42.78 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.034 0.445 . . . . 0.0 110.227 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.786 HG22 ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -68.85 -48.04 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.348 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.504 HG21 ' HG2' ' A' ' 21' ' ' GLN . 11.7 p -55.66 -34.74 36.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 121.012 0.434 . . . . 0.0 109.906 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.48 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -58.18 -39.8 79.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 49' ' ' PHE . 4.0 t60 -70.88 -39.5 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.59 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.026 HG21 HD13 ' A' ' 24' ' ' LEU . 3.7 mt -60.16 -43.68 93.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.873 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.867 ' OD1' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.89 -40.0 91.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.199 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.501 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.11 -43.56 21.5 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' A' ' 60' ' ' HIS . 8.9 mp0 -92.58 -12.77 30.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.065 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.639 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 81.9 m-70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.719 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt . . . . . 0 N--CA 1.463 0.199 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.662 ' HA ' HD11 ' A' ' 20' ' ' LEU . 15.1 t -57.83 125.17 21.88 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.21 23.55 12.24 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 8.9 m95 -72.93 131.58 42.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -41.79 98.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.536 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.95 6.55 31.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.756 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 19.7 t -109.53 122.53 39.12 Favored Pre-proline 0 C--N 1.332 -0.178 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 48.2 Cg_endo -101.4 37.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.563 2.842 . . . . 0.0 112.538 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -141.02 143.45 34.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.0 111.699 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -120.3 163.27 18.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.657 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.895 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.59 156.43 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.8 -21.78 20.49 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.33 170.09 16.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.606 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 62' ' ' ASN . 5.7 tp -54.41 -41.84 69.77 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -70.39 -34.61 72.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.273 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.895 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -59.46 -46.67 88.1 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.798 -178.334 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.76 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -74.37 -41.37 61.11 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.651 178.275 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -57.93 -47.15 83.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.622 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.576 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -69.66 -39.64 76.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.594 179.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.8 t60 -70.06 -43.98 70.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.037 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.879 HD13 HG21 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -69.83 -48.87 57.33 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -178.015 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.576 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -64.73 -44.13 91.15 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HG2' ' CD2' ' A' ' 25' ' ' LEU . 25.6 mmtt -78.62 -41.57 31.26 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 4.9 t70 -83.24 -45.87 13.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.807 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.6 m-70 . . . . . 0 C--N 1.328 -0.355 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.868 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 121.027 0.441 . . . . 0.0 110.549 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -112.26 152.8 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.0 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.599 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 3.5 t -59.99 142.42 53.91 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.474 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -110.36 38.49 2.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.236 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.457 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.38 148.14 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.285 178.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -46.1 83.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -101.23 -26.05 13.78 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 9.7 t -72.48 140.05 48.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.105 0.479 . . . . 0.0 111.892 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.41 25.36 10.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.192 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.599 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 38.6 t80 -63.94 142.39 58.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.119 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.9 tt -138.7 139.99 38.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.9 169.21 23.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -90.55 -32.08 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.45 165.66 22.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.036 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.762 ' HA ' HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -61.29 -44.49 97.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.782 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.739 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -58.32 -36.57 73.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -33.86 72.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.703 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.868 ' CD1' HD22 ' A' ' 40' ' ' LEU . 79.5 mt -72.52 -47.83 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.718 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.0 m -55.82 -34.68 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.749 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.2 t30 -68.01 -41.49 82.12 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.555 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 8.6 t60 -70.39 -44.14 68.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.823 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.879 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.65 -44.33 85.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.082 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.558 ' HB2' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.62 -37.59 87.02 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.979 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.3 -45.18 18.3 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.35 -16.27 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.64 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.5 m-70 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.743 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.844 ' HB2' HD21 ' A' ' 20' ' ' LEU . 3.4 t -58.95 125.34 23.17 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -94.42 22.55 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.494 ' HE1' HD11 ' A' ' 24' ' ' LEU . 15.2 m95 -83.15 131.8 35.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.331 . . . . 0.0 110.327 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -66.76 -39.81 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.346 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.09 7.73 26.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.823 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 29.2 t -109.44 122.39 39.62 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.483 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.6 Cg_endo -101.16 22.97 0.17 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.516 2.811 . . . . 0.0 112.697 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.71 143.33 49.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.991 0.424 . . . . 0.0 111.793 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -119.8 163.12 17.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.548 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.757 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.87 156.0 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.334 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.7 p -96.12 -18.72 19.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.411 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 m -141.13 154.11 45.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 110.794 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.62 -35.11 28.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.155 0.503 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -34.09 72.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.224 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.757 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -58.96 -44.94 91.56 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.133 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.95 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -70.14 -39.89 75.13 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.227 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -57.8 -48.01 80.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.603 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 5.8 ttt85 -70.1 -39.52 75.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.718 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.467 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.6 t60 -69.14 -47.44 65.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.95 HD12 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -66.25 -44.83 82.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.957 0.408 . . . . 0.0 111.741 -179.418 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.44 -45.94 78.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.723 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 6.9 mmpt? -79.55 -41.4 27.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 15.0 t0 -83.43 -45.54 13.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -177.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.741 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.9 m-70 . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.92 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.855 0.359 . . . . 0.0 110.467 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.528 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -112.68 151.85 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.929 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.7 t -61.08 142.86 56.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.538 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.439 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -105.79 36.34 2.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.92 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.31 148.14 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.283 178.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.55 -52.69 45.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.37 -26.14 13.71 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.1 t -64.15 139.68 58.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.184 0.516 . . . . 0.0 111.975 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -120.31 24.43 10.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.193 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.551 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 19.1 t80 -63.79 142.52 58.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -136.32 145.0 44.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.997 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.27 169.12 24.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -81.8 -31.82 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.28 170.73 15.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.079 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.496 ' HA ' HD12 ' A' ' 57' ' ' ILE . 3.6 m -61.07 -40.73 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.929 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -58.39 -39.82 80.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.788 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t -59.67 -33.12 71.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.445 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.92 HD11 ' HB3' ' A' ' 40' ' ' LEU . 50.7 mt -71.34 -46.51 64.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.352 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.929 HG22 ' O ' ' A' ' 55' ' ' ALA . 4.3 m -55.2 -34.4 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.585 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.09 -41.55 77.33 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.614 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.551 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 9.0 t60 -70.64 -43.05 70.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.736 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.926 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.88 -45.49 87.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.957 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.81 -36.8 84.53 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.124 -179.265 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.493 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.49 -44.66 18.81 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.508 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 51.4 mm-40 -94.13 -18.81 21.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.312 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.621 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.9 m-70 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt . . . . . 0 N--CA 1.462 0.162 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.702 ' CA ' HD21 ' A' ' 20' ' ' LEU . 7.5 t -58.99 125.21 22.64 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -95.91 23.35 6.43 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.74 ' NE1' HD21 ' A' ' 24' ' ' LEU . 9.1 m95 -82.14 131.76 35.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.814 0.34 . . . . 0.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -39.51 90.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.536 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.06 3.72 44.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.893 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 31.3 t -109.57 122.37 39.57 Favored Pre-proline 0 C--N 1.332 -0.186 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.736 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.6 Cg_endo -101.41 21.44 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.568 2.845 . . . . 0.0 112.518 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.28 143.42 44.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.079 0.466 . . . . 0.0 111.895 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -114.97 163.68 15.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.51 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.931 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.49 156.29 21.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.224 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.41 -25.72 18.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.47 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.59 158.42 43.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.004 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.62 -43.0 56.77 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.128 0.489 . . . . 0.0 110.289 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -62.52 -33.62 75.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.634 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.931 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 22.8 t0 -58.57 -44.97 89.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.99 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.896 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -62.76 -43.42 98.84 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.842 179.476 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 4.6 tt0 -57.75 -48.19 80.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -71.99 -36.89 69.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.668 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 3.5 t60 -69.21 -47.53 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.977 HD13 HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -69.33 -48.48 61.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.369 . . . . 0.0 111.53 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' C ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.14 -45.44 91.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.359 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -42.19 27.03 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 3.3 t0 -84.41 -46.32 11.82 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.915 ' HB2' HD23 ' A' ' 24' ' ' LEU . 98.9 m-70 . . . . . 0 C--N 1.329 -0.323 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.879 HD12 HG22 ' A' ' 54' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.952 0.406 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.501 ' H ' HD23 ' A' ' 40' ' ' LEU . . . -114.44 152.41 31.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.627 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.42 142.64 54.76 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.453 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 m-80 -106.82 35.33 3.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.073 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.39 148.1 22.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.478 179.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -47.86 77.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.477 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.3 -26.1 13.74 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 7.9 t -68.95 136.66 52.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.127 0.489 . . . . 0.0 111.969 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -115.9 22.53 12.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.173 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 25.1 t80 -64.02 142.3 58.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.254 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 1.7 pp -138.36 141.13 39.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.861 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.97 169.1 21.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.68 -31.81 22.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -137.43 169.63 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.879 HG22 HD12 ' A' ' 40' ' ' LEU . 37.3 p -60.66 -34.95 75.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.871 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -66.98 -37.35 84.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 m -57.96 -33.6 69.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.517 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.761 HD12 HD13 ' A' ' 40' ' ' LEU . 90.5 mt -71.74 -46.57 61.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.254 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.0 m -55.17 -34.33 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.67 -45.18 68.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.869 178.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.538 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 9.6 t60 -70.08 -44.67 68.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.977 HG21 HD13 ' A' ' 24' ' ' LEU . 2.5 mt -57.72 -44.78 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.79 -36.37 83.34 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.782 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.515 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.59 -44.8 18.38 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.484 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 57.6 mm-40 -94.18 -16.95 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.181 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.636 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.1 m-70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HE3' ' CE ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.212 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.806 ' CB ' HD21 ' A' ' 20' ' ' LEU . 1.8 t -58.93 125.19 22.56 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' CE ' ' HE3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -94.8 23.52 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.698 -178.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.479 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 8.5 m95 -82.99 131.79 35.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -43.74 89.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.679 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.31 12.47 11.86 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.0 t -109.35 122.46 39.49 Favored Pre-proline 0 C--N 1.332 -0.19 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.629 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 53.1 Cg_endo -101.14 25.97 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.456 2.771 . . . . 0.0 112.591 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.48 143.35 51.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.056 0.455 . . . . 0.0 111.755 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -118.32 163.31 16.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.616 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.926 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.72 155.84 21.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.254 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.1 -19.9 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.482 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.27 155.19 46.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tp -50.45 -35.53 29.2 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.158 0.504 . . . . 0.0 110.229 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -70.38 -33.68 71.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.953 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.926 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 4.7 m-20 -58.62 -44.96 90.15 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.858 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -69.9 -41.24 74.95 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.048 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -57.8 -43.91 85.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.55 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.689 ' HA ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -72.25 -42.9 65.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.422 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -69.64 -40.76 76.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.763 -179.416 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.955 HD13 HG21 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -69.98 -49.21 53.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.78 HD23 ' H ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -63.92 -43.85 94.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.342 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.78 ' H ' HD23 ' A' ' 25' ' ' LEU . 9.7 ptpt -78.81 -41.72 29.55 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 t70 -83.97 -46.0 12.54 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.841 ' HB2' HD23 ' A' ' 24' ' ' LEU . 98.4 m-70 . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.91 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 121.065 0.46 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -98.45 153.17 18.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.677 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 2.5 t -59.73 140.49 56.45 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.503 ' N ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -98.04 30.14 3.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.741 -177.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.647 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.55 148.54 22.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.107 0.479 . . . . 0.0 111.048 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.77 -49.7 75.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.619 -179.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -101.08 -26.29 13.75 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.8 t -65.87 134.63 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.967 0.413 . . . . 0.0 111.565 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.95 21.45 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.603 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 20.1 t80 -63.98 142.31 58.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.025 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.9 tt -135.37 151.68 50.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.039 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.3 169.17 26.99 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.07 -23.95 26.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.711 0.291 . . . . 0.0 111.262 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -150.57 169.69 20.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.512 ' HA ' HD13 ' A' ' 40' ' ' LEU . 1.9 t -58.43 -38.25 77.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.797 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.703 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -59.74 -36.52 76.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.2 m -64.46 -33.48 75.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.264 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.91 ' CD1' HD22 ' A' ' 40' ' ' LEU . 66.3 mt -72.42 -48.08 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.874 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 55' ' ' ALA . 4.8 m -55.61 -34.76 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.055 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.562 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.22 -44.22 72.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.897 178.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 6.8 t60 -70.19 -44.08 69.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.049 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.955 HG21 HD13 ' A' ' 24' ' ' LEU . 2.8 mt -57.81 -44.06 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.146 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.88 -36.26 82.92 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.78 -179.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.52 -44.46 19.06 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 14.7 mm-40 -93.81 -18.31 22.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.135 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.671 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 84.5 m-70 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.763 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.7 t -57.84 125.15 21.81 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -99.58 26.52 6.07 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.821 ' NE1' HD21 ' A' ' 24' ' ' LEU . 7.7 m0 -82.95 131.66 35.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -63.28 -35.34 80.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.544 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.07 -7.87 57.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.743 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.571 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 33.6 t -109.38 122.35 39.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 51.1 Cg_endo -100.59 12.59 0.5 Allowed 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.422 2.748 . . . . 0.0 112.486 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.47 143.38 27.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.108 0.48 . . . . 0.0 111.896 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 p -118.47 163.43 16.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.353 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.946 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.62 149.93 29.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.901 0.382 . . . . 0.0 111.242 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -81.62 -25.52 35.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.368 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -141.73 168.06 20.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 62' ' ' ASN . 2.1 tp -54.22 -44.06 71.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.178 0.513 . . . . 0.0 110.453 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -65.13 -33.53 76.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.237 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.946 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 5.4 m-20 -58.22 -45.14 88.23 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' HD12 ' A' ' 24' ' ' LEU . 53.2 tp -73.25 -39.75 65.2 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.346 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -48.63 78.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.005 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -72.93 -32.81 65.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.597 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 2.9 t60 -69.41 -47.67 63.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.745 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.894 HD13 HG21 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -69.47 -41.05 76.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.37 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.59 -46.45 75.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.671 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -79.91 -42.03 24.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 31.6 t0 -83.77 -45.78 12.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.661 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 98.9 m-70 . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.862 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.981 0.42 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.597 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -99.56 152.19 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.051 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 4.5 t -60.55 142.59 55.2 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.625 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.445 ' HB2' ' CZ2' ' A' ' 7' ' ' TRP . 1.3 m-80 -108.82 39.12 2.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.097 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.34 148.28 22.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.336 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -53.97 28.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.35 -26.02 13.75 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.8 t -63.97 140.15 58.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.153 0.501 . . . . 0.0 111.913 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -118.99 25.96 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.33 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.583 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 36.0 t80 -63.91 142.57 58.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.144 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.597 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -133.83 140.88 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.05 169.03 23.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.422 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.2 -32.09 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -139.05 168.39 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.986 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.785 HG23 ' CD1' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -59.37 -33.7 71.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.824 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -66.78 -36.86 83.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.7 m -62.52 -33.47 74.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.862 ' CD1' HD22 ' A' ' 40' ' ' LEU . 80.1 mt -71.63 -47.16 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.582 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.824 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.2 m -55.15 -34.36 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.956 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.574 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.54 -42.48 74.55 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.577 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 13.4 t60 -70.34 -44.05 68.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.003 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.894 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.89 -44.67 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.91 -37.48 86.19 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.033 -179.418 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.495 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.6 -44.62 18.64 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.512 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 13.8 mm-40 -94.02 -17.86 22.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.249 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.7 m-70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.992 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.226 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.992 ' HA ' HD11 ' A' ' 20' ' ' LEU . 8.6 t -59.26 125.63 24.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -89.87 18.25 5.87 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -178.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.816 ' NE1' HD21 ' A' ' 24' ' ' LEU . 11.6 m95 -83.19 131.5 35.11 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.215 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -41.5 82.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.796 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -85.19 7.54 21.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.88 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 48.6 t -109.44 122.53 39.2 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.659 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 49.1 Cg_endo -101.18 21.38 0.2 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.536 2.824 . . . . 0.0 112.624 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -112.45 143.4 43.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.068 0.461 . . . . 0.0 111.933 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.4 p -117.13 163.45 16.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.547 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.907 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.65 156.05 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.279 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -93.01 -28.94 16.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.356 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -141.47 160.99 38.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.9 tp -50.68 -32.48 19.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.112 0.482 . . . . 0.0 110.336 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.11 -34.11 72.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.825 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.907 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 1.3 m-20 -58.91 -45.31 90.61 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.992 HD11 ' HA ' ' A' ' 5' ' ' CYS . 1.2 tp -61.15 -44.73 96.87 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.812 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 10.6 tt0 -57.7 -48.38 79.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.104 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 22' ' ' ARG . 12.4 ttp-105 -72.15 -36.81 69.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 t60 -69.25 -47.4 64.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.171 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.903 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -69.16 -44.03 73.08 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.12 -46.0 79.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.93 -178.659 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -79.51 -41.79 26.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 13.9 t0 -83.96 -45.38 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.644 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.4 m-70 . . . . . 0 C--N 1.327 -0.403 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.944 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.894 0.378 . . . . 0.0 110.756 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.836 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -126.76 151.97 47.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.956 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.553 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 2.5 t -60.46 142.7 54.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.627 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.2 35.77 3.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.44 148.1 22.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.359 . . . . 0.0 110.284 178.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -44.79 91.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.22 -26.17 13.74 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 12.6 t -74.71 138.11 42.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.14 0.495 . . . . 0.0 111.86 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.95 27.29 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.14 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 37.1 t80 -64.01 142.83 58.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.343 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.836 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.5 tp -140.17 138.53 35.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.813 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.24 169.08 21.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.603 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.34 -32.02 22.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.669 0.271 . . . . 0.0 110.991 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.57 ' OD2' ' HB3' ' A' ' 55' ' ' ALA . 9.0 p-10 -137.46 168.99 18.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.708 HG22 HD13 ' A' ' 40' ' ' LEU . 18.9 p -60.27 -39.32 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.855 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.0 -36.95 83.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -33.7 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.944 HD11 ' HB3' ' A' ' 40' ' ' LEU . 58.8 mt -71.93 -47.02 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.606 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.855 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.7 m -55.11 -34.74 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.532 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -69.62 -42.3 74.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.581 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 18.0 t60 -70.22 -44.8 67.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.24 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.903 HG21 HD13 ' A' ' 24' ' ' LEU . 1.9 mt -57.88 -44.93 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.952 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.81 -37.72 87.02 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.02 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.504 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.29 -45.19 18.31 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.31 -16.43 23.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.066 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.623 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.9 m-70 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' CA ' HD12 ' A' ' 20' ' ' LEU . 50.3 t -59.15 124.98 21.75 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -106.85 35.66 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.772 ' NE1' HD21 ' A' ' 24' ' ' LEU . 5.5 m95 -78.98 131.72 36.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -44.25 77.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.719 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.34 4.7 41.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 7.5 t -109.33 122.34 39.88 Favored Pre-proline 0 C--N 1.331 -0.216 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.868 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.4 Cg_endo -102.15 31.8 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.595 2.863 . . . . 0.0 112.404 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -134.88 143.55 47.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.034 0.445 . . . . 0.0 111.691 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -122.93 163.9 19.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.464 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.834 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -109.51 156.1 20.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.344 . . . . 0.0 110.792 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.2 -12.74 27.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -141.38 163.25 33.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.518 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.66 -39.73 74.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.237 0.542 . . . . 0.0 110.489 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -70.46 -34.5 72.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.529 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.834 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 1.2 m-20 -59.27 -45.31 91.57 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 61' ' ' ILE . 3.1 tt -69.69 -39.95 76.63 Favored 'General case' 0 CA--C 1.523 -0.061 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.3 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 20.1 tt0 -57.9 -48.63 79.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.789 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -33.97 67.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.513 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.433 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 3.8 t60 -69.03 -47.74 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.972 HD13 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -69.3 -41.05 77.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.527 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -66.58 -46.28 76.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.668 -179.259 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -79.33 -41.5 27.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 33.0 t0 -83.81 -45.62 13.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.66 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.5 m-70 . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.818 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 121.074 0.464 . . . . 0.0 110.49 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -103.72 152.72 21.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.01 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.7 t -60.23 142.44 54.51 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.493 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.5 m-80 -107.79 37.77 2.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.765 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.4 148.31 22.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.167 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.91 -55.49 14.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.25 -25.29 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.9 t -63.85 139.96 58.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 0.0 111.837 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -119.65 24.62 10.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.378 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 21.3 t80 -63.77 142.87 58.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.005 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 2.6 tt -134.1 147.2 50.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.055 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -141.55 169.09 25.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.43 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -91.75 -32.13 15.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 111.076 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.6 166.4 23.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -59.64 -33.54 71.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.79 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.09 -36.66 82.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.5 m -60.56 -33.44 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.818 HD11 ' HB3' ' A' ' 40' ' ' LEU . 58.8 mt -72.21 -47.63 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 55' ' ' ALA . 10.2 m -55.8 -34.7 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.75 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.567 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -68.4 -40.3 81.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.564 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 15.4 t60 -70.71 -44.55 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.857 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.972 HG21 HD13 ' A' ' 24' ' ' LEU . 1.5 mt -57.83 -45.01 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.43 -38.79 90.95 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.209 -179.083 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.5 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.6 -45.25 17.62 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.5 -18.23 21.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.588 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 94.3 m-70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.117 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.728 ' N ' HD21 ' A' ' 20' ' ' LEU . 13.1 t -58.25 125.04 21.54 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 6.75 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.674 ' NE1' HD21 ' A' ' 24' ' ' LEU . 12.9 m95 -74.94 131.61 40.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -33.54 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.735 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -87.14 2.94 48.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.515 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 42.4 t -109.52 122.7 38.64 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 54.4 Cg_endo -98.98 20.19 0.33 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.336 2.691 . . . . 0.0 112.646 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 143.42 34.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 0.0 111.803 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 p -117.45 163.21 16.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.714 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.895 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -112.46 156.32 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.392 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.48 -29.69 15.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.9 m -141.76 161.66 37.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.626 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 tp -50.78 -31.6 17.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.088 0.471 . . . . 0.0 110.358 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -70.2 -34.6 73.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.623 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.895 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 1.3 m-20 -59.21 -45.33 91.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.708 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.803 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -64.52 -45.74 85.88 Favored 'General case' 0 N--CA 1.458 -0.044 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.665 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 4.8 tt0 -57.93 -48.13 80.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.721 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -72.02 -35.86 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 5.2 t60 -69.22 -47.71 64.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.006 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -67.55 -41.6 84.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.241 -179.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.811 HD23 ' N ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -66.34 -46.42 76.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.483 -179.31 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.811 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -79.23 -40.81 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.944 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 13.0 t0 -84.06 -45.96 12.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.914 ' HB2' HD23 ' A' ' 24' ' ' LEU . 95.0 m-70 . . . . . 0 C--N 1.328 -0.332 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.864 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.874 0.369 . . . . 0.0 110.815 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.834 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -117.98 152.04 36.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.639 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.4 t -60.52 142.47 55.25 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.409 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -108.53 35.92 3.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.512 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.6 148.25 22.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.503 178.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.7 -45.5 91.92 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -101.09 -26.19 13.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.5 t -73.13 140.05 46.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.058 0.456 . . . . 0.0 111.829 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.0 25.87 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.166 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.592 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 46.8 t80 -63.91 142.72 58.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.31 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -140.4 138.92 35.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.701 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.13 169.14 21.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.656 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -85.61 -31.47 22.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.775 0.321 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.61 173.93 11.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.993 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.791 HG22 ' CD1' ' A' ' 40' ' ' LEU . 56.9 p -64.54 -37.64 88.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.783 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.873 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.86 -36.93 84.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 p -60.47 -33.63 72.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.864 ' CD1' HD22 ' A' ' 40' ' ' LEU . 77.9 mt -71.6 -46.17 63.98 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.563 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.873 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.6 m -55.27 -34.62 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.555 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.99 -41.76 73.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.272 0.558 . . . . 0.0 109.538 178.396 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.592 ' CD2' ' CD2' ' A' ' 49' ' ' PHE . 23.8 t60 -70.2 -45.08 67.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.244 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -58.3 -45.01 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.55 -38.78 90.58 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.986 -179.485 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.502 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.47 -45.38 17.65 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.51 -17.56 22.29 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 92.8 m-70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.75 ' N ' HD21 ' A' ' 20' ' ' LEU . 24.3 t -58.7 125.34 23.05 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.24 22.36 6.89 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.481 ' NE1' HD21 ' A' ' 24' ' ' LEU . 10.7 m95 -83.15 131.62 35.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.359 . . . . 0.0 110.213 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.2 -44.17 89.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.8 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.21 0.84 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.797 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 28.1 t -109.42 122.27 39.99 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 49.0 Cg_endo -101.06 20.73 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.531 2.82 . . . . 0.0 112.558 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.06 143.42 43.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.066 0.46 . . . . 0.0 111.782 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -121.48 163.48 18.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.584 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.721 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -110.53 156.15 21.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 111.187 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.23 -14.8 23.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.649 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 t -141.47 151.1 43.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.442 HD11 ' HB2' ' A' ' 62' ' ' ASN . 12.2 tp -51.05 -35.81 36.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.124 0.488 . . . . 0.0 110.431 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -70.18 -33.82 72.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.243 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.721 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 2.9 m-20 -58.57 -44.24 89.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.899 HD12 HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.58 -40.57 83.54 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.626 179.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.458 ' HG3' ' HB ' ' A' ' 58' ' ' VAL . 3.7 tt0 -59.95 -48.74 80.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.222 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -69.28 -38.66 78.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.002 0.43 . . . . 0.0 110.583 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.8 t60 -69.31 -47.27 64.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.93 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -69.35 -42.68 74.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.211 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.832 HD13 ' CG1' ' A' ' 58' ' ' VAL . 9.0 tp -66.49 -45.4 79.75 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.975 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -78.6 -41.56 31.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 7.6 t0 -83.8 -45.42 13.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.923 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.9 m-70 . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.867 ' HB3' HD11 ' A' ' 57' ' ' ILE . 2.1 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.864 0.364 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . . . -126.58 152.0 47.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.104 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.9 142.72 56.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.67 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -107.91 36.33 2.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.879 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.473 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.3 148.07 22.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.203 179.041 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -44.37 91.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -101.22 -26.06 13.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.7 t -73.96 139.85 45.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 0.0 112.039 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -120.36 25.05 10.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.052 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 17.7 t80 -63.91 142.57 58.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.291 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.573 ' CD1' ' HB2' ' A' ' 41' ' ' ALA . 10.1 tp -137.18 136.24 38.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.744 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.93 169.04 21.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.17 -32.12 61.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.303 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -149.01 171.98 15.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.814 ' OG1' HD11 ' A' ' 25' ' ' LEU . 2.3 t -57.08 -48.92 77.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.885 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -55.22 -37.0 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.911 0.386 . . . . 0.0 110.668 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -63.17 -33.36 75.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.912 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.867 HD11 ' HB3' ' A' ' 40' ' ' LEU . 58.0 mt -71.23 -44.7 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.071 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.885 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.3 m -55.2 -34.36 32.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.59 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.549 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -67.69 -41.64 83.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.449 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.559 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 8.6 t60 -70.45 -43.01 70.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.753 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.93 HG21 HD13 ' A' ' 24' ' ' LEU . 1.7 mt -57.45 -45.55 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.825 -179.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.87 -36.65 84.01 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.054 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.17 -45.49 18.01 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.411 ' HB2' ' CE1' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -94.8 -17.86 21.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.18 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.633 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.8 m-70 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.827 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.129 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.945 ' HB2' HD21 ' A' ' 20' ' ' LEU . 1.7 t -58.85 125.18 22.48 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.449 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 11.3 tttp -90.08 11.88 19.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.559 ' NE1' HD21 ' A' ' 24' ' ' LEU . 15.9 m95 -73.01 131.74 42.52 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.221 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -38.28 87.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.205 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -87.23 6.09 34.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.935 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 15.2 t -109.24 122.05 40.82 Favored Pre-proline 0 CA--C 1.53 0.205 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.621 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 45.9 Cg_endo -101.65 11.87 0.43 Allowed 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.542 2.828 . . . . 0.0 112.575 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -103.6 143.32 32.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.015 0.436 . . . . 0.0 111.872 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.1 m -115.75 163.11 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.538 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.888 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -115.39 156.2 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.284 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.28 -23.72 18.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.221 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -141.15 159.14 42.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.773 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.717 HD21 ' OD1' ' A' ' 62' ' ' ASN . 3.2 tp -50.53 -39.47 49.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.2 0.524 . . . . 0.0 110.612 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -33.8 76.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.987 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.888 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 1.1 m-20 -58.49 -46.09 87.39 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.668 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.945 HD21 ' HB2' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -74.05 -39.24 63.63 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.404 178.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HG2' HG22 ' A' ' 58' ' ' VAL . 6.7 mt-30 -57.08 -48.67 78.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.74 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -72.98 -43.11 62.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.543 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.3 t60 -58.83 -40.56 84.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.444 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.912 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -64.61 -44.71 89.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.441 ' CD1' ' HB ' ' A' ' 58' ' ' VAL . 1.9 mp -66.39 -44.51 82.87 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.506 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -78.65 -41.37 31.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 12.1 t70 -83.1 -45.34 14.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.661 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 95.6 m-70 . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.801 HD13 HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.041 0.448 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -84.93 152.11 23.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.027 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 1.2 t -60.42 142.34 55.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.474 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 m-80 -109.61 35.97 3.14 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.092 -0.503 . . . . 0.0 112.013 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.693 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -94.52 148.35 22.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.061 0.458 . . . . 0.0 110.735 179.194 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -52.62 -51.87 58.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.76 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.23 -15.7 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 6.5 t -77.93 135.26 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.112 0.482 . . . . 0.0 111.937 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -113.37 16.74 18.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.298 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 12.2 t80 -63.86 143.11 58.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.55 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -137.32 139.4 40.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.02 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.07 156.4 21.19 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.391 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.7 -32.28 60.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.301 . . . . 0.0 111.576 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.745 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -136.37 154.53 50.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.899 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.801 HG22 HD13 ' A' ' 40' ' ' LEU . 18.8 p -53.39 -38.99 63.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -67.91 -35.39 78.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.354 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 2.8 m -71.99 -45.36 61.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 110.257 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.781 HG21 ' HB3' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -64.22 -48.05 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.119 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 21' ' ' GLN . 10.9 p -55.58 -34.87 36.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.051 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -58.21 -39.61 79.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 3.2 t60 -70.89 -41.86 70.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.582 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.912 HG21 HD13 ' A' ' 24' ' ' LEU . 4.0 mt -57.91 -44.18 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.227 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.717 ' OD1' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.94 -36.78 84.29 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.976 -179.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.491 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -79.57 -43.72 22.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.982 0.42 . . . . 0.0 112.015 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.488 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 38.0 mm-40 -93.39 -12.64 29.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.957 -178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.665 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 61.5 m-70 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.676 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.8 t -59.76 125.45 23.71 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 0.53 27.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.726 ' NE1' HD21 ' A' ' 24' ' ' LEU . 13.2 m95 -72.9 131.75 42.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.763 0.316 . . . . 0.0 110.25 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -76.61 -35.12 58.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.426 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.03 9.88 18.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.567 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 52.4 t -109.34 122.87 38.3 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.603 0.239 . . . . 0.0 111.274 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 56.9 Cg_endo -98.47 24.49 0.22 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.316 2.677 . . . . 0.0 112.612 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -121.92 143.28 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 111.599 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -114.72 163.34 15.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.887 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.839 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.72 157.64 19.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.9 m -91.6 -33.43 15.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.29 170.47 15.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.968 0.413 . . . . 0.0 111.758 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.8 tp -50.77 -43.15 58.38 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -67.41 -35.42 79.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.613 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.839 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 8.5 t0 -60.9 -45.6 93.96 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.119 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.524 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.81 -39.87 95.62 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.777 178.666 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.02 -48.27 71.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.214 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -42.3 71.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 4.0 t60 -59.33 -47.14 86.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.927 HD23 ' HB2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -69.17 -41.84 76.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.454 -179.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.18 -46.32 77.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.43 -179.157 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -80.0 -41.75 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 5.2 t70 -84.08 -46.38 12.03 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.927 ' HB2' HD23 ' A' ' 24' ' ' LEU . 98.1 m-70 . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' A' ' 54' ' ' THR . 1.5 pt? . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.25 0.548 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.708 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . . . -108.0 154.34 21.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.158 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.465 ' HB2' ' HD1' ' A' ' 49' ' ' PHE . 1.8 t -58.9 142.36 50.95 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -106.86 38.48 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.53 148.14 22.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.831 0.348 . . . . 0.0 110.173 178.669 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.7 -44.88 86.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.49 -26.04 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 7.3 t -72.23 133.97 45.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.183 0.516 . . . . 0.0 112.257 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -114.51 22.82 13.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.607 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 25.4 t80 -64.02 142.47 58.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.466 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.708 ' CD1' ' HB2' ' A' ' 41' ' ' ALA . 6.0 tp -136.78 143.45 43.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.526 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.04 162.98 23.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.684 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -81.08 -32.05 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.58 ' C ' HD21 ' A' ' 40' ' ' LEU . 24.2 t70 -135.35 165.93 24.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.673 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -57.7 -39.44 77.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.762 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.18 -36.23 81.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.338 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.4 m -57.37 -33.98 68.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.73 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.694 ' O ' HG13 ' A' ' 61' ' ' ILE . 19.0 mt -72.48 -47.58 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.594 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.8 m -55.84 -34.72 37.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.737 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.565 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -66.32 -42.22 88.54 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.489 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 5.9 t60 -70.51 -41.06 73.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.651 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.853 HG21 HD13 ' A' ' 24' ' ' LEU . 1.8 mt -58.6 -44.83 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.977 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.565 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.83 -36.9 84.75 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.004 -179.363 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.78 -44.65 18.23 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 42.1 mm-40 -94.0 -19.26 21.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.274 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 89.1 m-70 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.251 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.75 ' CA ' HD21 ' A' ' 20' ' ' LEU . 3.7 t -59.28 125.46 23.71 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -94.36 22.5 5.99 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.652 ' CE2' HD21 ' A' ' 24' ' ' LEU . 13.5 m95 -83.08 131.67 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 110.128 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -39.87 91.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.536 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.05 6.14 34.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.875 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 15.6 t -109.43 122.13 40.39 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.655 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.9 Cg_endo -102.39 17.49 0.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.616 2.878 . . . . 0.0 112.728 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -111.69 143.5 42.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.027 0.441 . . . . 0.0 111.855 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -112.4 163.34 14.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.728 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.936 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.91 156.34 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.354 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 t -94.88 -25.92 16.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.427 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -141.33 159.56 41.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.43 HD21 ' OD1' ' A' ' 62' ' ' ASN . 21.7 tp -50.52 -44.19 56.12 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.157 0.503 . . . . 0.0 110.294 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -61.93 -33.65 74.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.213 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.936 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 23.4 t0 -58.5 -45.37 88.89 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.293 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.849 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.41 -45.44 76.14 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.095 178.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -47.46 82.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.799 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -72.08 -38.05 69.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 2.7 t60 -68.97 -47.41 65.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.998 HD13 HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -66.6 -42.92 86.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.919 0.39 . . . . 0.0 111.71 -179.381 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 HG11 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -66.29 -46.1 78.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.423 -179.282 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -79.7 -41.66 26.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 18.1 t0 -83.44 -45.52 13.55 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -177.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.79 ' HB2' HD23 ' A' ' 24' ' ' LEU . 96.7 m-70 . . . . . 0 C--N 1.327 -0.389 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.838 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.011 0.434 . . . . 0.0 110.784 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.587 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -114.6 152.64 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.848 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.565 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.9 t -60.12 142.51 54.1 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.411 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -108.67 36.13 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.49 148.1 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.898 0.38 . . . . 0.0 110.311 178.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -45.99 83.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -101.21 -26.06 13.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.4 t -72.72 135.82 45.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.067 0.46 . . . . 0.0 111.923 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -113.61 25.86 10.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.062 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 42.4 t80 -63.95 142.45 58.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.294 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.587 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -138.53 140.47 39.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.855 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.51 169.29 23.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.555 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.81 -32.09 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.313 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -142.22 171.8 13.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.596 ' CG2' HD13 ' A' ' 40' ' ' LEU . 40.2 p -60.01 -38.89 83.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.761 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -60.64 -36.8 79.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.002 0.43 . . . . 0.0 111.07 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -63.71 -33.5 75.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.208 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.838 HD11 ' HB3' ' A' ' 40' ' ' LEU . 80.8 mt -72.32 -47.63 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 55' ' ' ALA . 6.3 m -55.31 -34.58 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.538 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.35 -44.35 71.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.766 178.738 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.563 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 10.6 t60 -70.11 -44.49 68.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.058 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.998 HG21 HD13 ' A' ' 24' ' ' LEU . 2.7 mt -57.79 -44.81 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.044 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.91 -36.52 83.62 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.015 -179.547 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.506 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.88 -44.5 18.25 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.498 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 45.2 mm-40 -93.96 -17.99 22.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.191 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.638 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.2 m-70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.803 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.177 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 6.3 t -59.08 125.3 23.04 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 21.63 7.86 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.651 ' CZ2' HD21 ' A' ' 24' ' ' LEU . 14.6 m95 -80.69 131.83 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -65.03 -40.13 94.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.609 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -87.13 6.54 32.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 17.6 t -109.4 122.38 39.68 Favored Pre-proline 0 CA--C 1.53 0.174 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.666 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.9 Cg_endo -101.82 20.41 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.541 2.827 . . . . 0.0 112.559 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -116.18 143.38 45.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.066 0.46 . . . . 0.0 111.744 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.0 p -114.26 163.43 15.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.548 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.948 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.57 156.1 21.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -94.73 -23.83 17.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.68 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -141.49 157.98 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.64 0.257 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.5 tp -50.58 -44.08 56.72 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.175 0.512 . . . . 0.0 110.072 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.43 -33.92 76.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.963 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.948 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 6.6 t70 -58.72 -45.34 89.81 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.994 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.583 ' CD1' ' HA ' ' A' ' 5' ' ' CYS . 4.2 tp -63.37 -46.08 88.16 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 120.124 -0.63 . . . . 0.0 109.727 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -57.88 -45.57 86.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.86 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -72.09 -38.78 69.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.664 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.5 t60 -69.19 -47.54 64.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.95 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -66.29 -43.82 85.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.841 0.353 . . . . 0.0 111.559 -179.362 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.31 -45.93 78.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.453 -179.242 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -79.18 -41.42 28.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 29.9 t0 -83.3 -45.74 13.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.726 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.5 m-70 . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.845 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.125 0.488 . . . . 0.0 110.452 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -102.8 152.35 21.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.981 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.577 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 4.2 t -60.56 142.46 55.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.501 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.424 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -108.5 39.11 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.542 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.5 148.19 22.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.935 0.397 . . . . 0.0 110.386 178.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -52.32 42.91 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -101.27 -26.13 13.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.8 t -66.49 138.94 57.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.122 0.487 . . . . 0.0 111.85 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.75 27.11 8.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.139 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.577 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 26.9 t80 -63.83 142.57 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.278 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -133.36 144.95 49.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.797 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.42 169.09 24.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.574 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -83.41 -32.0 26.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -144.27 179.15 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.471 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.5 m -65.77 -41.35 92.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.788 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -59.52 -36.86 76.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.977 0.418 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -63.17 -33.31 75.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.216 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.845 ' CD1' HD12 ' A' ' 40' ' ' LEU . 57.5 mt -71.95 -47.32 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.72 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.788 HG22 ' O ' ' A' ' 55' ' ' ALA . 4.0 m -55.52 -34.25 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.629 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.539 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -68.86 -41.77 77.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.505 178.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.55 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 8.0 t60 -70.25 -44.76 67.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.856 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.95 HG21 HD13 ' A' ' 24' ' ' LEU . 1.5 mt -57.75 -44.1 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.58 -37.36 86.43 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.946 -179.412 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.504 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.41 -44.31 19.53 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 15.9 mm-40 -93.8 -17.27 23.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.24 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.5 m-70 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.463 0.184 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.808 ' N ' HD21 ' A' ' 20' ' ' LEU . 2.3 t -59.0 125.85 25.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -86.65 15.73 5.37 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.83 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.722 ' HE1' HD21 ' A' ' 24' ' ' LEU . 15.3 m95 -82.7 131.67 35.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 110.289 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -37.95 80.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.585 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -87.32 9.97 18.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.765 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 t -109.37 122.17 40.35 Favored Pre-proline 0 C--N 1.331 -0.211 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.544 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -101.96 15.23 0.33 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.56 2.84 . . . . 0.0 112.807 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -110.75 143.44 41.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.054 0.454 . . . . 0.0 111.933 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.5 p -116.09 163.14 16.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.652 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.653 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -111.49 156.36 21.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.398 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.7 p -92.7 -22.93 19.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.262 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -141.28 157.54 45.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -50.94 -37.41 44.13 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.028 0.442 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -68.51 -34.47 75.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.219 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.653 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 7.3 m-20 -59.21 -45.08 92.04 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.823 HD12 HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -63.5 -44.32 94.68 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 120.139 -0.625 . . . . 0.0 110.594 179.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.494 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 3.8 tt0 -57.98 -49.73 75.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.678 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -68.21 -46.38 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.444 -179.498 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -59.06 -34.74 72.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.897 HD13 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -70.0 -49.36 52.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.759 -179.596 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -62.46 -44.76 95.63 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.803 -179.034 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 1.6 pttp -79.37 -42.01 26.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 t70 -84.09 -41.6 16.97 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -177.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 95.5 m-70 . . . . . 0 C--N 1.329 -0.292 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.901 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.792 0.33 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -117.36 151.95 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.0 t -60.77 142.55 55.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.587 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -109.44 38.25 2.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.41 148.24 22.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.861 0.363 . . . . 0.0 110.267 178.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.29 -50.15 67.97 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -101.33 -26.19 13.7 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 12.7 t -70.12 138.65 52.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.084 0.469 . . . . 0.0 111.93 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -117.16 27.82 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.035 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.612 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 41.0 t80 -63.94 142.77 58.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.314 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.2 tt -140.18 136.98 34.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.786 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.87 168.88 21.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.71 -28.98 30.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -141.04 169.82 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.425 ' HA ' HD12 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -62.93 -46.24 88.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.872 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.4 -36.96 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -59.82 -33.52 71.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.644 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.901 HD11 ' HB3' ' A' ' 40' ' ' LEU . 34.3 mt -71.45 -42.97 73.05 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.534 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' ' 55' ' ' ALA . 1.7 m -55.5 -34.41 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.113 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.3 -41.01 77.34 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.245 178.294 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.612 ' CD2' ' CD2' ' A' ' 49' ' ' PHE . 17.4 t60 -70.18 -43.61 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.801 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.897 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.64 -45.61 86.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.88 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.77 -37.6 86.76 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.096 -179.449 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.37 -45.5 17.64 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.78 -16.2 23.19 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.58 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 90.6 m-70 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.697 ' HA ' HD11 ' A' ' 20' ' ' LEU . 29.4 t -58.18 125.16 22.03 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -100.39 28.69 4.83 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 7.9 m95 -82.24 131.63 35.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -64.69 -40.67 95.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.595 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -86.98 5.66 36.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.699 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 36.0 t -109.67 122.58 38.84 Favored Pre-proline 0 C--N 1.332 -0.187 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 53.1 Cg_endo -101.26 34.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.49 2.794 . . . . 0.0 112.423 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.92 143.45 48.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.104 0.478 . . . . 0.0 111.882 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 p -115.06 163.94 14.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.558 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.972 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.14 156.34 20.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.35 -26.65 18.81 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.55 165.16 28.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 111.408 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.9 tp -52.83 -36.79 59.21 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 121.255 0.55 . . . . 0.0 110.264 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -70.74 -34.71 72.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.09 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.972 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 43.2 t0 -59.44 -45.46 91.5 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.697 HD11 ' HA ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER -67.87 -42.43 81.3 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.312 179.298 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 7.3 tt0 -57.99 -48.41 80.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -39.52 77.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.438 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.6 t60 -69.33 -47.19 65.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.923 HD13 HG21 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -69.3 -43.83 73.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.265 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -66.15 -46.0 79.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.74 0.305 . . . . 0.0 111.726 -178.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -79.09 -41.95 27.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 5.2 t70 -84.15 -45.44 12.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.842 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.2 m-70 . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.977 HD23 HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.015 0.436 . . . . 0.0 110.71 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.717 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -108.81 152.86 24.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.891 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.614 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 3.5 t -60.05 142.49 53.95 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.772 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.429 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -112.35 40.86 2.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.125 -178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.594 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.31 148.19 22.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.368 179.124 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -50.94 58.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.23 -26.14 13.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.5 t -68.76 136.81 53.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.129 0.49 . . . . 0.0 111.819 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.69 25.08 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.146 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.614 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 33.2 t80 -63.9 142.32 58.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.182 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -133.49 141.27 47.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.908 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.8 169.12 22.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.396 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -93.29 -31.99 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -134.7 169.13 17.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.934 ' HA ' HD22 ' A' ' 40' ' ' LEU . 42.3 p -60.82 -36.93 80.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.655 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.06 -36.29 81.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.313 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -33.73 72.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.977 HD12 HD23 ' A' ' 40' ' ' LEU . 34.4 mt -72.45 -48.73 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 55' ' ' ALA . 35.7 m -55.82 -34.64 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.586 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -66.32 -41.71 89.26 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.374 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 7.4 t60 -70.76 -44.02 67.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.798 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.923 HG21 HD13 ' A' ' 24' ' ' LEU . 1.7 mt -61.2 -43.56 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.94 -38.48 88.74 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.858 -179.619 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.491 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.39 -44.86 18.68 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -19.45 20.76 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.633 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 95.6 m-70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.707 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.0 tttt . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.779 ' HA ' HD11 ' A' ' 20' ' ' LEU . 2.0 t -59.23 125.25 22.86 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 7.08 29.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.459 ' NE1' HD21 ' A' ' 24' ' ' LEU . 15.1 m95 -73.05 131.52 42.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.137 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -70.21 -36.85 74.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.353 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -87.08 7.56 27.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.602 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.1 t -109.34 122.4 39.7 Favored Pre-proline 0 C--N 1.331 -0.203 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.538 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 45.3 Cg_endo -100.83 18.06 0.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.531 2.821 . . . . 0.0 112.595 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.65 143.3 41.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.063 0.458 . . . . 0.0 111.8 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -113.42 163.47 14.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.659 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.895 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.61 156.17 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.077 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.8 p -95.87 -28.13 14.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.593 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -141.43 160.01 41.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.305 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.5 tp -50.74 -35.73 32.96 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.191 0.52 . . . . 0.0 110.304 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -70.27 -33.85 72.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.302 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.895 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 9.0 t70 -58.9 -44.81 91.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.716 -178.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.779 HD11 ' HA ' ' A' ' 5' ' ' CYS . 1.1 tp -58.82 -46.55 87.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.421 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 8.1 tt0 -60.08 -48.93 79.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.332 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.37 -46.18 89.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.037 0.446 . . . . 0.0 110.947 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.462 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.3 t60 -69.96 -45.5 67.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.249 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.99 HD13 HG21 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -69.71 -47.72 62.12 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.537 ' CD2' ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -65.41 -44.51 87.17 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -177.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HG2' ' CD2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -79.1 -41.15 29.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 6.2 t0 -83.07 -42.01 17.95 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -176.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.736 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 92.9 m-70 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.856 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.857 0.36 . . . . 0.0 110.713 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 50' ' ' LEU . . . -112.78 151.84 29.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.735 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -61.14 142.75 56.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.922 179.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.4 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.5 m-80 -106.3 35.03 3.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.539 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.36 148.54 22.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.752 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -54.99 -50.75 68.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.341 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -101.34 -26.27 13.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.9 t -67.58 134.41 51.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.076 0.465 . . . . 0.0 111.732 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -114.32 24.81 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.202 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 15.0 t80 -63.94 142.19 58.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.211 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 41' ' ' ALA . 33.5 tp -139.7 143.82 37.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.78 169.06 23.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.415 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.24 -28.87 47.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.717 0.294 . . . . 0.0 111.264 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.19 178.29 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 58' ' ' VAL . 14.6 p -60.57 -31.01 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.656 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -64.44 -36.4 84.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.06 -33.75 76.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.485 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.856 ' CD1' HD12 ' A' ' 40' ' ' LEU . 81.1 mt -72.64 -48.32 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 55' ' ' ALA . 10.1 m -55.95 -37.5 48.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.984 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.2 t30 -69.95 -43.74 70.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.545 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 13.1 t60 -70.09 -47.3 62.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.621 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.99 HG21 HD13 ' A' ' 24' ' ' LEU . 3.2 mt -57.7 -43.06 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.54 -37.84 87.88 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.668 -179.72 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.78 -44.3 18.79 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 14.3 mm-40 -93.57 -15.79 25.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.137 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.644 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 86.9 m-70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.79 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.877 0.37 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.858 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -99.59 133.29 44.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.383 0.611 . . . . 0.0 111.112 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.561 ' N ' HD13 ' A' ' 3' ' ' LEU . 6.5 tttt -110.65 112.84 24.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.209 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.838 ' HB2' HD21 ' A' ' 20' ' ' LEU . 5.6 t -59.28 125.28 22.96 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.04 23.77 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.713 ' NE1' HD21 ' A' ' 24' ' ' LEU . 9.5 m95 -83.12 131.7 35.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.808 0.337 . . . . 0.0 110.302 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -40.23 94.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.558 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -87.07 4.66 41.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.953 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 22.7 t -109.38 122.09 40.58 Favored Pre-proline 0 C--N 1.332 -0.185 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.673 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.7 Cg_endo -102.08 19.15 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.588 2.858 . . . . 0.0 112.511 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -112.14 143.39 43.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.099 0.476 . . . . 0.0 111.823 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.8 p -114.18 163.54 15.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.625 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.93 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.63 156.03 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -92.27 -25.46 18.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.467 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -141.46 157.44 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.696 0.284 . . . . 0.0 111.058 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' HA ' HD23 ' A' ' 3' ' ' LEU . 9.0 tp -50.45 -36.0 31.33 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.243 0.544 . . . . 0.0 110.073 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.32 -33.62 71.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.716 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.93 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 17.1 t0 -58.43 -44.9 89.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.186 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.897 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.65 -39.39 80.73 Favored 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.877 179.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 7.8 tt0 -57.54 -48.26 79.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.591 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -72.29 -35.39 68.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.557 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.5 t60 -69.12 -47.56 64.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.897 HD12 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.3 -42.4 75.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.876 0.37 . . . . 0.0 111.599 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -66.31 -46.6 76.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.676 -179.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -80.08 -41.81 24.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 15.9 t70 -83.76 -45.2 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -176.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.871 ' HB2' HD23 ' A' ' 24' ' ' LEU . 96.7 m-70 -90.09 -0.68 57.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 25' ' ' LEU . 3.9 m -161.05 86.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.162 0.506 . . . . 0.0 111.638 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -56.77 -35.05 68.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.111 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.84 109.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.808 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.98 -31.69 63.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 63.54 19.63 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.238 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.82 24.6 10.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.729 0.299 . . . . 0.0 111.159 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -96.11 128.54 36.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.836 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.24 -46.58 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.449 2.099 . . . . 0.0 112.229 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mtt -155.17 70.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -135.64 88.47 23.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.88 151.79 39.19 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.506 2.138 . . . . 0.0 112.099 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.885 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -92.11 149.06 21.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.856 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -127.21 152.74 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.624 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -60.08 142.45 54.09 Favored 'General case' 0 CA--C 1.522 -0.132 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.485 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.5 m-80 -107.55 35.11 3.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.262 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.45 148.22 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.444 179.008 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -57.52 -46.65 83.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -101.05 -20.3 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.4 t -78.07 138.44 38.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.175 0.512 . . . . 0.0 112.02 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.63 22.67 12.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.097 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 23.0 t80 -63.89 142.39 58.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.046 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.856 HD12 ' HB2' ' A' ' 41' ' ' ALA . 3.8 tp -139.43 143.11 37.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.95 169.0 24.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.82 -32.04 31.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.22 166.53 24.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.707 ' O ' HG13 ' A' ' 58' ' ' VAL . 2.9 t -60.17 -33.9 72.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -64.2 -36.87 85.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.0 m -63.78 -33.64 76.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.885 HD11 ' HB3' ' A' ' 40' ' ' LEU . 42.4 mt -72.53 -47.73 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.832 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.1 m -55.29 -34.64 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.625 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.552 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -68.92 -41.23 78.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.521 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 7.5 t60 -70.48 -43.92 68.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.913 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.821 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.77 -44.38 85.87 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.78 -37.08 85.35 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.089 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.59 -44.34 19.13 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.501 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 71.0 mm-40 -93.82 -18.8 21.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.21 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.637 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.2 m-70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.751 0.31 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.017 HD12 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -85.72 137.16 33.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.294 0.569 . . . . 0.0 110.851 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -111.19 112.51 24.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.535 -178.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.86 ' HA ' HD21 ' A' ' 20' ' ' LEU . 5.4 t -59.75 125.86 25.31 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 10.52 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.601 ' HE1' HD21 ' A' ' 24' ' ' LEU . 13.1 m95 -81.31 131.7 35.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.333 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -70.76 -39.89 72.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.665 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.08 12.21 11.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.6 t -109.4 122.63 38.95 Favored Pre-proline 0 CA--C 1.531 0.214 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.469 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 52.3 Cg_endo -99.74 18.58 0.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 123.385 2.723 . . . . 0.0 112.772 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -114.07 143.27 45.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.977 0.418 . . . . 0.0 111.58 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -115.15 162.99 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.894 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.844 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . . . -112.81 157.4 21.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -91.28 -34.07 15.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.483 ' C ' HD23 ' A' ' 3' ' ' LEU . 12.8 t -141.17 170.38 15.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.863 0.363 . . . . 0.0 111.523 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' HA ' ' HG ' ' A' ' 3' ' ' LEU . 60.1 tp -50.35 -40.47 49.28 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.672 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -35.34 73.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.964 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.805 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 6.3 t70 -62.7 -45.26 93.56 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.017 HD12 HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -63.33 -41.11 98.86 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.455 179.378 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.515 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 3.5 tt0 -66.12 -50.33 64.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.1 -46.4 89.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.439 . . . . 0.0 110.513 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.2 t60 -62.22 -34.11 75.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.833 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.825 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -69.56 -48.7 59.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.848 -179.664 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.783 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -66.1 -44.83 83.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.627 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HG2' HD12 ' A' ' 25' ' ' LEU . 13.9 mttt -78.71 -41.71 30.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 18.1 t0 -83.37 -43.6 15.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.65 ' O ' HG13 ' A' ' 29' ' ' VAL . 97.4 m-70 -94.32 1.66 55.89 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 25' ' ' LEU . 3.1 m -161.76 84.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 121.311 0.577 . . . . 0.0 111.59 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.4 t -73.08 -28.79 62.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.306 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 62.96 112.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.763 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' C ' ' CG ' ' A' ' 33' ' ' PHE . 1.5 t0 -79.17 -38.72 35.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.409 ' CG ' ' C ' ' A' ' 32' ' ' ASP . 25.3 m-85 -157.58 -160.81 0.97 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.627 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -116.43 125.46 52.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.776 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 90.6 m-70 -81.75 125.76 77.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 31.7 Cg_exo -58.53 -49.09 12.85 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.503 2.135 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -140.31 28.41 2.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.255 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -116.34 84.93 15.07 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.63 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.53 154.93 22.85 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.699 2.266 . . . . 0.0 112.765 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.003 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -93.19 144.21 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.904 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -118.45 153.03 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.908 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.58 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 4.0 t -59.51 142.52 52.37 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -106.99 38.72 2.03 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.55 148.29 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.934 0.397 . . . . 0.0 110.262 178.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -50.79 -52.3 42.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -101.31 -26.16 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.0 t -64.98 137.46 57.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.206 0.527 . . . . 0.0 112.048 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -117.02 25.21 10.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.035 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.58 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 40.0 t80 -63.79 142.8 58.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.259 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.2 tp -134.46 143.02 47.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.28 163.66 25.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.598 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.55 -30.24 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.702 0.286 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.801 ' C ' HD11 ' A' ' 40' ' ' LEU . 15.6 m-20 -133.77 166.5 22.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.517 ' N ' HD11 ' A' ' 40' ' ' LEU . 2.8 p -57.33 -49.06 77.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.681 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.8 -36.12 71.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -57.45 -36.54 71.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.713 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 1.003 ' CD1' HD12 ' A' ' 40' ' ' LEU . 78.8 mt -72.58 -47.77 49.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.647 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.2 m -55.86 -37.15 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.621 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -65.25 -42.56 93.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.545 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 9.2 t60 -70.17 -43.15 71.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.812 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.825 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.85 -44.17 85.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -65.64 -37.59 86.99 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.019 -179.45 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.65 -44.48 18.77 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.496 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 22.1 mm-40 -94.0 -15.56 24.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.205 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.631 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.0 m-70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.713 0.292 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.969 HD12 HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.71 141.6 29.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.245 0.545 . . . . 0.0 110.888 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.78 112.68 24.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.118 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.32 125.27 22.93 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.53 0.84 28.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.662 ' HE1' HD11 ' A' ' 24' ' ' LEU . 15.2 m95 -72.93 131.65 42.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.247 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -38.3 70.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.75 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -86.38 9.96 16.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.832 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.7 t -109.51 122.67 38.71 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 120.583 0.23 . . . . 0.0 111.447 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 52.0 Cg_endo -99.5 13.48 0.58 Allowed 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.399 2.733 . . . . 0.0 112.792 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.66 143.3 34.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.95 0.405 . . . . 0.0 111.667 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 t -115.53 163.15 16.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.913 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.88 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . . . -111.72 156.85 21.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.068 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -89.38 -34.15 16.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.585 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 18.2 m -141.29 170.09 16.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 111.099 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 55.6 tp -50.62 -35.55 30.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.988 0.423 . . . . 0.0 110.776 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -70.28 -35.36 73.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.991 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.847 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -59.83 -45.58 91.94 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.501 -179.036 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.969 HD12 HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -63.09 -46.19 88.55 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.004 178.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.409 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -63.24 -43.34 98.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.23 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -70.79 -45.89 63.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.4 t60 -65.44 -47.08 77.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.051 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.944 HD13 HG21 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -64.02 -41.76 97.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.226 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.061 HD12 HG11 ' A' ' 58' ' ' VAL . 1.4 tt -66.33 -46.52 76.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.889 0.376 . . . . 0.0 111.597 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -79.18 -40.72 30.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 10.5 t70 -83.38 -45.39 13.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.824 ' HB2' HD23 ' A' ' 24' ' ' LEU . 96.8 m-70 -91.24 5.61 48.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.561 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 92.2 t -131.75 95.5 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-O 121.547 0.689 . . . . 0.0 111.317 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 t -73.42 -21.6 60.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.196 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 62.8 103.57 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.615 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -66.66 -38.41 86.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.269 -179.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' ASP . 0.8 OUTLIER 80.22 -40.86 0.2 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.651 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -45.9 -27.95 1.0 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 56.5 p-80 -69.68 120.44 77.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.915 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 19.8 Cg_exo -65.75 -49.18 2.42 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.424 2.083 . . . . 0.0 112.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.19 30.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -77.61 135.7 64.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.787 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.76 147.35 61.47 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.315 2.01 . . . . 0.0 112.233 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.794 ' CD2' HG22 ' A' ' 54' ' ' THR . 5.6 tp -91.85 129.57 37.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -102.97 151.37 22.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.278 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.586 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.2 t -61.4 142.81 56.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.852 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.33 37.67 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.599 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.46 148.31 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.352 178.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -50.92 -53.62 31.23 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.41 -26.23 13.66 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.2 t -65.29 137.57 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.101 0.477 . . . . 0.0 111.82 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.29 28.11 8.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.08 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 28.2 t80 -63.84 142.83 58.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.329 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 15.8 tp -136.28 137.99 41.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.71 169.09 22.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.23 -30.4 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 111.117 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.12 -174.69 4.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.047 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.794 HG22 ' CD2' ' A' ' 40' ' ' LEU . 41.4 p -66.02 -40.62 91.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.75 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -59.98 -36.6 77.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -64.82 -32.71 74.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.36 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.79 HD11 ' HB3' ' A' ' 40' ' ' LEU . 73.3 mt -71.67 -47.7 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 1.061 HG11 HD12 ' A' ' 25' ' ' LEU . 24.7 m -55.22 -34.35 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.939 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.561 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.13 -43.13 74.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.586 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 15.5 t60 -70.44 -42.11 71.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.88 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.944 HG21 HD13 ' A' ' 24' ' ' LEU . 2.1 mt -60.22 -45.68 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.949 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -66.1 -37.29 85.39 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.062 -179.404 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.76 -44.48 18.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 23.2 mm-40 -93.95 -18.79 21.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.369 -178.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.577 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 90.7 m-70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.01 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 15' ' ' SER . 2.0 m-20 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.736 0.303 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.037 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -112.09 127.6 55.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.599 0.714 . . . . 0.0 111.483 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -110.32 114.49 27.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.121 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' CB ' HD11 ' A' ' 20' ' ' LEU . 10.7 t -57.73 125.34 22.57 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -100.46 25.93 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.775 ' NE1' HD21 ' A' ' 24' ' ' LEU . 11.6 m95 -83.26 131.71 35.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.801 0.334 . . . . 0.0 110.614 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -66.72 -36.99 83.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 3.1 47.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.724 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 7' ' ' TRP . 11.5 t -109.32 122.4 39.71 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-O 120.612 0.244 . . . . 0.0 111.374 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 50.1 Cg_endo -100.14 34.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.348 2.699 . . . . 0.0 112.529 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.23 143.28 40.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.011 0.434 . . . . 0.0 111.677 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.2 p -121.32 163.4 18.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.506 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 3' ' ' LEU . . . -110.64 155.32 22.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER -96.68 -13.02 23.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.196 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 67.3 m -142.37 154.6 44.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.703 0.287 . . . . 0.0 111.36 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.867 HD11 ' OD1' ' A' ' 62' ' ' ASN . 10.9 tp -52.1 -35.28 47.42 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.292 0.568 . . . . 0.0 110.392 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.91 -34.66 71.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.19 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.783 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 31.0 m-20 -59.35 -45.37 91.57 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -178.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.037 ' HB3' HD13 ' A' ' 3' ' ' LEU . 16.4 tp -72.09 -38.64 69.32 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.534 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HG2' HG21 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -56.29 -48.33 76.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 109.95 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -36.05 66.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 t60 -69.62 -47.67 62.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.362 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.026 HD13 HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -69.33 -49.14 58.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.989 0.423 . . . . 0.0 111.615 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.465 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -63.48 -45.81 89.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.888 -178.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -42.2 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 4.2 t0 -84.79 -46.3 11.51 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.678 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.1 m-70 -90.26 5.25 47.92 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 18.0 t -144.35 94.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.292 0.567 . . . . 0.0 111.013 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' ASP . 16.4 t -73.16 -19.79 61.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.322 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' HG2' ' CG ' ' A' ' 35' ' ' HIS . 2.1 mt-30 -56.64 82.86 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.148 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 4.2 m-20 -87.43 -21.93 25.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.359 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -177.59 -26.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.673 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -37.24 0.84 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CG ' ' HG2' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -69.92 120.6 78.83 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.016 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.37 -49.11 6.48 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.467 2.111 . . . . 0.0 112.231 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.8 ttt -175.77 37.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -88.55 126.46 59.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.86 147.58 61.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.35 2.033 . . . . 0.0 112.171 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.755 ' HB3' HG21 ' A' ' 57' ' ' ILE . 0.5 OUTLIER -93.0 125.81 37.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' N ' HD13 ' A' ' 40' ' ' LEU . . . -105.02 151.71 23.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.836 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 142.42 55.61 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.416 -0.586 . . . . 0.0 109.416 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.477 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 m-80 -107.94 35.48 3.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.049 -177.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.657 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -94.59 148.34 22.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.032 0.444 . . . . 0.0 110.788 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -50.28 66.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.426 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.2 -26.19 13.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 5.8 t -67.07 133.95 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.482 . . . . 0.0 111.717 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.67 20.61 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.242 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 60' ' ' HIS . 11.0 t80 -63.98 142.67 58.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.262 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.903 HD22 ' N ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -134.74 139.06 44.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.073 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.903 ' N ' HD22 ' A' ' 50' ' ' LEU . . . -129.45 152.69 19.62 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.616 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -72.9 -32.13 65.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.699 0.285 . . . . 0.0 111.507 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.786 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -139.18 156.66 46.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.761 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.453 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 67.6 p -53.04 -38.23 62.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.822 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' HA ' HG12 ' A' ' 58' ' ' VAL . . . -68.2 -35.49 78.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.509 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 m -72.06 -42.78 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.034 0.445 . . . . 0.0 110.227 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.786 HG22 ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -68.85 -48.04 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.348 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.504 HG21 ' HG2' ' A' ' 21' ' ' GLN . 11.7 p -55.66 -34.74 36.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 121.012 0.434 . . . . 0.0 109.906 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.48 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -58.18 -39.8 79.84 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 49' ' ' PHE . 4.0 t60 -70.88 -39.5 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.59 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.026 HG21 HD13 ' A' ' 24' ' ' LEU . 3.7 mt -60.16 -43.68 93.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.873 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.867 ' OD1' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.89 -40.0 91.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.199 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.11 -43.56 21.5 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' A' ' 60' ' ' HIS . 8.9 mp0 -92.58 -12.77 30.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.065 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.639 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 81.9 m-70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.719 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' SER . 1.2 m-20 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.697 0.284 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.872 HD23 ' HB3' ' A' ' 20' ' ' LEU . 4.3 tp -111.92 121.63 45.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.47 0.652 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -109.81 114.24 27.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.82 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.662 ' HA ' HD11 ' A' ' 20' ' ' LEU . 15.1 t -57.83 125.17 21.88 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.21 23.55 12.24 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 8.9 m95 -72.93 131.58 42.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -41.79 98.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.536 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.95 6.55 31.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.756 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 19.7 t -109.53 122.53 39.12 Favored Pre-proline 0 C--N 1.332 -0.178 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 48.2 Cg_endo -101.4 37.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.563 2.842 . . . . 0.0 112.538 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -141.02 143.45 34.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.0 111.699 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -120.3 163.27 18.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.657 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.895 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.59 156.43 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER -91.8 -21.78 20.49 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.33 170.09 16.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.606 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.732 ' HA ' HD22 ' A' ' 3' ' ' LEU . 5.7 tp -54.41 -41.84 69.77 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -70.39 -34.61 72.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.273 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.895 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -59.46 -46.67 88.1 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.798 -178.334 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.872 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -74.37 -41.37 61.11 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 120.299 -0.56 . . . . 0.0 109.651 178.275 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -57.93 -47.15 83.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.622 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.576 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -69.66 -39.64 76.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.594 179.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.471 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.8 t60 -70.06 -43.98 70.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.037 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.879 HD13 HG21 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -69.83 -48.87 57.33 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -178.015 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HA ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -64.73 -44.13 91.15 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HG2' ' CD2' ' A' ' 25' ' ' LEU . 25.6 mmtt -78.62 -41.57 31.26 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 4.9 t70 -83.24 -45.87 13.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.807 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.6 m-70 -90.46 5.02 49.36 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -172.77 59.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 111.003 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -61.16 -29.17 69.63 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.263 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 43.46 92.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.42 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.51 -38.27 86.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.97 -13.01 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.558 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.4 pttt 43.42 90.98 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.838 0.351 . . . . 0.0 111.436 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -69.94 120.99 81.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.59 -34.45 4.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.431 2.087 . . . . 0.0 112.305 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.4 mtt -59.98 -66.33 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.82 111.95 8.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.9 154.6 26.22 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.514 2.143 . . . . 0.0 112.316 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.868 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -91.61 119.37 31.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -112.26 152.8 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.0 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.599 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 3.5 t -59.99 142.42 53.91 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.474 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -110.36 38.49 2.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.236 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.457 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.38 148.14 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.285 178.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -46.1 83.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -101.23 -26.05 13.78 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 9.7 t -72.48 140.05 48.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.105 0.479 . . . . 0.0 111.892 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.41 25.36 10.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.192 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.599 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 38.6 t80 -63.94 142.39 58.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.119 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.9 tt -138.7 139.99 38.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.9 169.21 23.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -90.55 -32.08 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.45 165.66 22.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.036 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.762 ' HA ' HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -61.29 -44.49 97.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.782 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.739 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -58.32 -36.57 73.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -33.86 72.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.703 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.868 ' CD1' HD22 ' A' ' 40' ' ' LEU . 79.5 mt -72.52 -47.83 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.718 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.0 m -55.82 -34.68 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.749 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.2 t30 -68.01 -41.49 82.12 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.555 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 8.6 t60 -70.39 -44.14 68.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.823 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.879 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.65 -44.33 85.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.082 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.558 ' HB2' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.62 -37.59 87.02 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.979 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.3 -45.18 18.3 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.35 -16.27 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.64 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.5 m-70 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.743 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.711 0.291 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.853 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -92.91 130.45 38.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.379 0.609 . . . . 0.0 111.029 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.484 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -110.85 113.33 25.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.034 -0.985 . . . . 0.0 112.256 -178.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.844 ' HB2' HD21 ' A' ' 20' ' ' LEU . 3.4 t -58.95 125.34 23.17 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -94.42 22.55 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.494 ' HE1' HD11 ' A' ' 24' ' ' LEU . 15.2 m95 -83.15 131.8 35.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.331 . . . . 0.0 110.327 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -66.76 -39.81 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.346 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.09 7.73 26.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.823 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 29.2 t -109.44 122.39 39.62 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.483 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.6 Cg_endo -101.16 22.97 0.17 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.516 2.811 . . . . 0.0 112.697 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.71 143.33 49.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.991 0.424 . . . . 0.0 111.793 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -119.8 163.12 17.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.548 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.757 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.87 156.0 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.334 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.7 p -96.12 -18.72 19.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.411 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 35.4 m -141.13 154.11 45.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 110.794 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.675 ' HA ' HD23 ' A' ' 3' ' ' LEU . 6.1 tp -50.62 -35.11 28.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.155 0.503 . . . . 0.0 110.527 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -34.09 72.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.224 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.757 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -58.96 -44.94 91.56 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.133 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.95 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -70.14 -39.89 75.13 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.227 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -57.8 -48.01 80.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.603 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 5.8 ttt85 -70.1 -39.52 75.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.718 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.467 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.6 t60 -69.14 -47.44 65.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.95 HD12 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -66.25 -44.83 82.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.957 0.408 . . . . 0.0 111.741 -179.418 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -66.44 -45.94 78.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.723 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 6.9 mmpt? -79.55 -41.4 27.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 15.0 t0 -83.43 -45.54 13.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -177.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.741 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.9 m-70 -89.72 5.26 46.72 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 24.7 t -146.54 96.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.207 0.527 . . . . 0.0 111.064 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.6 t -73.32 -38.1 65.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 62.03 90.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.637 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -71.4 -38.68 71.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.249 -179.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 84.6 m-85 -157.64 -162.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.699 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -126.1 114.22 18.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -91.55 132.68 32.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.784 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.36 -45.43 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.51 2.14 . . . . 0.0 112.43 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.0 ttm -113.13 51.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.37 85.32 5.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.98 154.69 26.28 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.746 2.297 . . . . 0.0 112.404 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.92 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -91.33 131.19 36.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.467 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.528 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -112.68 151.85 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.929 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.7 t -61.08 142.86 56.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.538 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.439 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -105.79 36.34 2.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.92 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.31 148.14 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.283 178.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.55 -52.69 45.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.37 -26.14 13.71 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.1 t -64.15 139.68 58.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.184 0.516 . . . . 0.0 111.975 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -120.31 24.43 10.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.193 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.551 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 19.1 t80 -63.79 142.52 58.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -136.32 145.0 44.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.997 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.27 169.12 24.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -81.8 -31.82 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.28 170.73 15.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.079 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.496 ' HA ' HD12 ' A' ' 57' ' ' ILE . 3.6 m -61.07 -40.73 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.929 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -58.39 -39.82 80.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.788 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t -59.67 -33.12 71.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.445 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.92 HD11 ' HB3' ' A' ' 40' ' ' LEU . 50.7 mt -71.34 -46.51 64.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.352 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.929 HG22 ' O ' ' A' ' 55' ' ' ALA . 4.3 m -55.2 -34.4 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.585 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.09 -41.55 77.33 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.614 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.551 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 9.0 t60 -70.64 -43.05 70.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.736 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.926 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.88 -45.49 87.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.957 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.81 -36.8 84.53 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.124 -179.265 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.49 -44.66 18.81 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.508 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 51.4 mm-40 -94.13 -18.81 21.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.312 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.621 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.9 m-70 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' SER . 8.2 p-10 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.647 0.261 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.877 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -105.1 135.79 45.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 111.381 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -111.14 113.08 25.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.191 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.702 ' CA ' HD21 ' A' ' 20' ' ' LEU . 7.5 t -58.99 125.21 22.64 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -95.91 23.35 6.43 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.74 ' NE1' HD21 ' A' ' 24' ' ' LEU . 9.1 m95 -82.14 131.76 35.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.814 0.34 . . . . 0.0 110.234 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -39.51 90.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.536 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.06 3.72 44.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.893 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 31.3 t -109.57 122.37 39.57 Favored Pre-proline 0 C--N 1.332 -0.186 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.736 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.6 Cg_endo -101.41 21.44 0.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.568 2.845 . . . . 0.0 112.518 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.28 143.42 44.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.079 0.466 . . . . 0.0 111.895 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -114.97 163.68 15.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.51 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.931 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.49 156.29 21.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.224 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -92.41 -25.72 18.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.47 -179.57 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -141.59 158.42 43.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.004 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.619 ' HA ' HD23 ' A' ' 3' ' ' LEU . 12.3 tp -50.62 -43.0 56.77 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.128 0.489 . . . . 0.0 110.289 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -62.52 -33.62 75.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.634 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.931 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 22.8 t0 -58.57 -44.97 89.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.99 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.896 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -62.76 -43.42 98.84 Favored 'General case' 0 C--O 1.228 -0.077 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.842 179.476 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 4.6 tt0 -57.75 -48.19 80.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -71.99 -36.89 69.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.668 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 3.5 t60 -69.21 -47.53 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.977 HD13 HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -69.33 -48.48 61.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.369 . . . . 0.0 111.53 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -63.14 -45.44 91.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.359 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -42.19 27.03 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 3.3 t0 -84.41 -46.32 11.82 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.915 ' HB2' HD23 ' A' ' 24' ' ' LEU . 98.9 m-70 -90.9 5.44 48.58 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 29' ' ' VAL . 22.1 t -150.89 94.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.227 0.537 . . . . 0.0 111.092 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.8 t -65.21 -34.98 79.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.048 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 61.49 69.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.786 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -71.84 -26.79 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 65.23 33.47 9.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.811 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -34.28 63.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.404 ' CG ' ' HB2' ' A' ' 38' ' ' GLU . 2.7 p-80 -83.82 139.06 40.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.56 -46.31 0.64 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.42 2.08 . . . . 0.0 112.32 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -148.47 85.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HB2' ' CG ' ' A' ' 35' ' ' HIS . 1.1 mm-40 -137.05 109.61 9.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.748 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.75 145.29 72.49 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.331 2.02 . . . . 0.0 112.149 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.879 HD12 HG22 ' A' ' 54' ' ' THR . 0.4 OUTLIER -91.98 140.11 29.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.501 ' H ' HD23 ' A' ' 40' ' ' LEU . . . -114.44 152.41 31.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.627 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.42 142.64 54.76 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.453 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 m-80 -106.82 35.33 3.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.073 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.39 148.1 22.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.478 179.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -47.86 77.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.477 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.3 -26.1 13.74 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 7.9 t -68.95 136.66 52.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.127 0.489 . . . . 0.0 111.969 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -115.9 22.53 12.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.173 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 25.1 t80 -64.02 142.3 58.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.254 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 1.7 pp -138.36 141.13 39.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.861 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.97 169.1 21.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.68 -31.81 22.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -137.43 169.63 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.879 HG22 HD12 ' A' ' 40' ' ' LEU . 37.3 p -60.66 -34.95 75.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.871 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -66.98 -37.35 84.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 m -57.96 -33.6 69.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.517 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.761 HD12 HD13 ' A' ' 40' ' ' LEU . 90.5 mt -71.74 -46.57 61.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.254 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.0 m -55.17 -34.33 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.67 -45.18 68.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.869 178.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.538 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 9.6 t60 -70.08 -44.67 68.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.977 HG21 HD13 ' A' ' 24' ' ' LEU . 2.5 mt -57.72 -44.78 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.79 -36.37 83.34 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.782 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.515 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.59 -44.8 18.38 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.484 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 57.6 mm-40 -94.18 -16.95 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.181 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.636 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.1 m-70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.738 0.304 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.828 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -87.82 131.04 34.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.445 0.641 . . . . 0.0 110.97 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.567 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -110.47 113.04 25.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.822 -179.273 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.806 ' CB ' HD21 ' A' ' 20' ' ' LEU . 1.8 t -58.93 125.19 22.56 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' CE ' ' HE3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -94.8 23.52 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.698 -178.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.479 ' CH2' ' HB2' ' A' ' 43' ' ' ASN . 8.5 m95 -82.99 131.79 35.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -43.74 89.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.679 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.31 12.47 11.86 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.0 t -109.35 122.46 39.49 Favored Pre-proline 0 C--N 1.332 -0.19 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.629 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 53.1 Cg_endo -101.14 25.97 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.456 2.771 . . . . 0.0 112.591 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.48 143.35 51.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.056 0.455 . . . . 0.0 111.755 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -118.32 163.31 16.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.616 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.926 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.72 155.84 21.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.254 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.1 -19.9 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.482 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.27 155.19 46.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.703 ' HA ' HD23 ' A' ' 3' ' ' LEU . 9.9 tp -50.45 -35.53 29.2 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.158 0.504 . . . . 0.0 110.229 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -70.38 -33.68 71.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.953 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.926 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 4.7 m-20 -58.62 -44.96 90.15 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.858 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -69.9 -41.24 74.95 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.048 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -57.8 -43.91 85.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.55 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.689 ' HA ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -72.25 -42.9 65.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.422 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -69.64 -40.76 76.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.763 -179.416 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.955 HD13 HG21 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -69.98 -49.21 53.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.78 HD23 ' H ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -63.92 -43.85 94.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.342 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.78 ' H ' HD23 ' A' ' 25' ' ' LEU . 9.7 ptpt -78.81 -41.72 29.55 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 t70 -83.97 -46.0 12.54 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.841 ' HB2' HD23 ' A' ' 24' ' ' LEU . 98.4 m-70 -91.22 5.28 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -178.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 80.1 t -150.29 102.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.385 0.612 . . . . 0.0 111.636 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 t -73.24 -26.85 61.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.574 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 63.62 142.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.5 m-20 -62.79 -24.75 67.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.481 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 9.9 m-85 67.52 -65.86 0.22 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.115 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.26 46.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.094 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -95.97 135.87 22.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.822 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -75.47 -46.73 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.467 2.111 . . . . 0.0 112.477 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.3 tpp -177.47 68.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.54 120.18 40.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.74 154.32 26.53 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.413 2.075 . . . . 0.0 112.489 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.91 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -118.3 127.28 53.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.936 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -98.45 153.17 18.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.677 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 2.5 t -59.73 140.49 56.45 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.503 ' N ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -98.04 30.14 3.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.741 -177.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.647 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.55 148.54 22.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.107 0.479 . . . . 0.0 111.048 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.77 -49.7 75.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.619 -179.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -101.08 -26.29 13.75 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.8 t -65.87 134.63 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.967 0.413 . . . . 0.0 111.565 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.95 21.45 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.603 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 20.1 t80 -63.98 142.31 58.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.025 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.9 tt -135.37 151.68 50.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.039 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.3 169.17 26.99 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.07 -23.95 26.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.711 0.291 . . . . 0.0 111.262 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -150.57 169.69 20.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.512 ' HA ' HD13 ' A' ' 40' ' ' LEU . 1.9 t -58.43 -38.25 77.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.797 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.703 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -59.74 -36.52 76.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.2 m -64.46 -33.48 75.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.264 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.91 ' CD1' HD22 ' A' ' 40' ' ' LEU . 66.3 mt -72.42 -48.08 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.874 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 55' ' ' ALA . 4.8 m -55.61 -34.76 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.055 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.562 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.22 -44.22 72.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.897 178.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 6.8 t60 -70.19 -44.08 69.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.049 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.955 HG21 HD13 ' A' ' 24' ' ' LEU . 2.8 mt -57.81 -44.06 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.146 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.88 -36.26 82.92 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.78 -179.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.52 -44.46 19.06 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.494 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 14.7 mm-40 -93.81 -18.31 22.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.135 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.671 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 84.5 m-70 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.763 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' SER . 1.4 m-20 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.726 0.298 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.886 HD12 HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -111.98 136.4 51.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.643 0.735 . . . . 0.0 111.455 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.34 114.11 27.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.669 -1.151 . . . . 0.0 112.005 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.7 t -57.84 125.15 21.81 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -99.58 26.52 6.07 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.821 ' NE1' HD21 ' A' ' 24' ' ' LEU . 7.7 m0 -82.95 131.66 35.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -63.28 -35.34 80.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.544 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.07 -7.87 57.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.743 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.571 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 33.6 t -109.38 122.35 39.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 51.1 Cg_endo -100.59 12.59 0.5 Allowed 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 123.422 2.748 . . . . 0.0 112.486 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.47 143.38 27.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.108 0.48 . . . . 0.0 111.896 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 p -118.47 163.43 16.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.353 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.946 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.62 149.93 29.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.901 0.382 . . . . 0.0 111.242 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 1.4 t -81.62 -25.52 35.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.368 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -141.73 168.06 20.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.624 ' HA ' HD23 ' A' ' 3' ' ' LEU . 2.1 tp -54.22 -44.06 71.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.178 0.513 . . . . 0.0 110.453 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -65.13 -33.53 76.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.237 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.946 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 5.4 m-20 -58.22 -45.14 88.23 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.886 HD23 HD12 ' A' ' 3' ' ' LEU . 53.2 tp -73.25 -39.75 65.2 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.346 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -48.63 78.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.005 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -72.93 -32.81 65.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.597 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 2.9 t60 -69.41 -47.67 63.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.745 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.894 HD13 HG21 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -69.47 -41.05 76.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.37 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -66.59 -46.45 75.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.671 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -79.91 -42.03 24.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 31.6 t0 -83.77 -45.78 12.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.737 ' O ' HG13 ' A' ' 29' ' ' VAL . 98.9 m-70 -92.33 5.31 51.06 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -168.44 66.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.479 0.657 . . . . 0.0 111.253 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -73.08 -25.35 60.86 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.19 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.421 ' OE1' HG21 ' A' ' 54' ' ' THR . 37.1 mt-30 64.97 102.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.0 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -38.69 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -140.56 -163.7 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.547 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -121.93 129.12 52.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -93.02 121.0 66.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.752 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.61 -49.1 18.47 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.492 2.128 . . . . 0.0 112.313 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.9 mtt -139.88 88.32 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.8 97.1 0.78 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -55.79 154.42 26.4 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.54 2.16 . . . . 0.0 112.248 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.862 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -91.62 114.51 27.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.657 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.597 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -99.56 152.19 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.051 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 4.5 t -60.55 142.59 55.2 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.625 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.445 ' HB2' ' CZ2' ' A' ' 7' ' ' TRP . 1.3 m-80 -108.82 39.12 2.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.097 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.34 148.28 22.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.336 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -53.97 28.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.35 -26.02 13.75 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.8 t -63.97 140.15 58.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.153 0.501 . . . . 0.0 111.913 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -118.99 25.96 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.33 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.583 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 36.0 t80 -63.91 142.57 58.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.144 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.597 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -133.83 140.88 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.05 169.03 23.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.422 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.2 -32.09 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -139.05 168.39 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.986 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.785 HG23 ' CD1' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -59.37 -33.7 71.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.824 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -66.78 -36.86 83.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.7 m -62.52 -33.47 74.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.862 ' CD1' HD22 ' A' ' 40' ' ' LEU . 80.1 mt -71.63 -47.16 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.582 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.824 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.2 m -55.15 -34.36 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.956 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.574 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.54 -42.48 74.55 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.577 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 13.4 t60 -70.34 -44.05 68.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.003 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.894 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.89 -44.67 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.91 -37.48 86.19 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.033 -179.418 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.495 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.6 -44.62 18.64 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.512 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 13.8 mm-40 -94.02 -17.86 22.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.249 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 88.7 m-70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.992 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.685 0.279 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.722 HD12 HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.87 136.98 33.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.423 0.63 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 112.75 24.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.54 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.992 ' HA ' HD11 ' A' ' 20' ' ' LEU . 8.6 t -59.26 125.63 24.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -89.87 18.25 5.87 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -178.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.816 ' NE1' HD21 ' A' ' 24' ' ' LEU . 11.6 m95 -83.19 131.5 35.11 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.215 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -41.5 82.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.796 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -85.19 7.54 21.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.88 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 48.6 t -109.44 122.53 39.2 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.659 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 49.1 Cg_endo -101.18 21.38 0.2 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.536 2.824 . . . . 0.0 112.624 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -112.45 143.4 43.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.068 0.461 . . . . 0.0 111.933 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.4 p -117.13 163.45 16.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.547 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.907 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -110.65 156.05 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.279 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -93.01 -28.94 16.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.356 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -141.47 160.99 38.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 3' ' ' LEU . 21.9 tp -50.68 -32.48 19.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.112 0.482 . . . . 0.0 110.336 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.11 -34.11 72.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.825 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.907 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 1.3 m-20 -58.91 -45.31 90.61 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.992 HD11 ' HA ' ' A' ' 5' ' ' CYS . 1.2 tp -61.15 -44.73 96.87 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.812 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 10.6 tt0 -57.7 -48.38 79.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.104 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 22' ' ' ARG . 12.4 ttp-105 -72.15 -36.81 69.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 t60 -69.25 -47.4 64.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.171 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.903 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -69.16 -44.03 73.08 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.516 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -66.12 -46.0 79.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.93 -178.659 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -79.51 -41.79 26.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 13.9 t0 -83.96 -45.38 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -176.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.644 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.4 m-70 -89.84 5.68 45.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 65.5 t -135.76 94.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.422 0.629 . . . . 0.0 111.247 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -73.15 -27.92 61.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.942 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 62.24 91.4 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.18 -37.38 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 64.92 36.49 7.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.59 -29.66 19.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -87.85 139.05 31.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.999 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.76 -44.62 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.491 2.128 . . . . 0.0 112.389 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.1 mmt -151.77 85.7 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.64 121.66 9.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.87 154.19 27.82 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.481 2.121 . . . . 0.0 112.385 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.944 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -91.84 149.26 21.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.756 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.836 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -126.76 151.97 47.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.956 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.553 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 2.5 t -60.46 142.7 54.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.627 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.2 35.77 3.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -94.44 148.1 22.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.359 . . . . 0.0 110.284 178.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -44.79 91.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.22 -26.17 13.74 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 12.6 t -74.71 138.11 42.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.14 0.495 . . . . 0.0 111.86 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.95 27.29 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.14 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 37.1 t80 -64.01 142.83 58.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.343 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.836 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.5 tp -140.17 138.53 35.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.813 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.24 169.08 21.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.603 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.34 -32.02 22.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.669 0.271 . . . . 0.0 110.991 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.57 ' OD2' ' HB3' ' A' ' 55' ' ' ALA . 9.0 p-10 -137.46 168.99 18.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.708 HG22 HD13 ' A' ' 40' ' ' LEU . 18.9 p -60.27 -39.32 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.855 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.0 -36.95 83.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -33.7 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.944 HD11 ' HB3' ' A' ' 40' ' ' LEU . 58.8 mt -71.93 -47.02 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.606 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.855 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.7 m -55.11 -34.74 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.532 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -69.62 -42.3 74.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.581 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 18.0 t60 -70.22 -44.8 67.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.24 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.903 HG21 HD13 ' A' ' 24' ' ' LEU . 1.9 mt -57.88 -44.93 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.952 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.81 -37.72 87.02 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.02 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.504 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.29 -45.19 18.31 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.31 -16.43 23.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.066 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.623 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.9 m-70 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.744 0.306 . . . . 0.0 111.291 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.825 HD23 ' HB3' ' A' ' 20' ' ' LEU . 1.9 tp -112.31 126.33 55.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.42 0.628 . . . . 0.0 111.401 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.32 112.89 25.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.904 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' CA ' HD12 ' A' ' 20' ' ' LEU . 50.3 t -59.15 124.98 21.75 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -106.85 35.66 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.772 ' NE1' HD21 ' A' ' 24' ' ' LEU . 5.5 m95 -78.98 131.72 36.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -44.25 77.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.719 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.34 4.7 41.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 7.5 t -109.33 122.34 39.88 Favored Pre-proline 0 C--N 1.331 -0.216 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.868 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.4 Cg_endo -102.15 31.8 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.595 2.863 . . . . 0.0 112.404 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -134.88 143.55 47.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.034 0.445 . . . . 0.0 111.691 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -122.93 163.9 19.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.464 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.834 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -109.51 156.1 20.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.344 . . . . 0.0 110.792 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER -94.2 -12.74 27.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.803 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -141.38 163.25 33.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.518 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.58 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 9.7 tp -56.66 -39.73 74.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.237 0.542 . . . . 0.0 110.489 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -70.46 -34.5 72.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.529 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.834 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 1.2 m-20 -59.27 -45.31 91.57 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.825 ' HB3' HD23 ' A' ' 3' ' ' LEU . 3.1 tt -69.69 -39.95 76.63 Favored 'General case' 0 CA--C 1.523 -0.061 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.3 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 20.1 tt0 -57.9 -48.63 79.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.789 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -33.97 67.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.513 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.433 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 3.8 t60 -69.03 -47.74 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.972 HD13 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -69.3 -41.05 77.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.527 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -66.58 -46.28 76.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.668 -179.259 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -79.33 -41.5 27.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 33.0 t0 -83.81 -45.62 13.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.66 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 96.5 m-70 -99.32 -15.28 18.88 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -177.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 24' ' ' LEU . 3.4 t -123.71 37.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.41 0.624 . . . . 0.0 110.862 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 t -65.85 -19.93 66.06 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.281 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 43.85 95.36 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.701 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -80.27 -32.75 38.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -111.63 -42.58 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? 63.83 105.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -96.06 120.86 62.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.95 -31.65 2.23 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.486 2.124 . . . . 0.0 112.504 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -86.04 -35.68 20.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.099 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -85.06 114.84 58.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.036 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.65 155.24 22.4 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.613 2.209 . . . . 0.0 112.536 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.818 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -90.99 111.91 23.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.49 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -103.72 152.72 21.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.01 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.7 t -60.23 142.44 54.51 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.493 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.5 m-80 -107.79 37.77 2.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.765 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.4 148.31 22.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.167 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.91 -55.49 14.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.25 -25.29 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.9 t -63.85 139.96 58.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 0.0 111.837 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -119.65 24.62 10.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.378 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 21.3 t80 -63.77 142.87 58.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.005 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 2.6 tt -134.1 147.2 50.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.055 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -141.55 169.09 25.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.43 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -91.75 -32.13 15.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 111.076 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.6 166.4 23.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -59.64 -33.54 71.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.79 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.09 -36.66 82.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.5 m -60.56 -33.44 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.818 HD11 ' HB3' ' A' ' 40' ' ' LEU . 58.8 mt -72.21 -47.63 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 55' ' ' ALA . 10.2 m -55.8 -34.7 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.75 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.567 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.1 t30 -68.4 -40.3 81.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.564 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 15.4 t60 -70.71 -44.55 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.857 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.972 HG21 HD13 ' A' ' 24' ' ' LEU . 1.5 mt -57.83 -45.01 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.43 -38.79 90.95 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.209 -179.083 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.5 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.6 -45.25 17.62 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.5 -18.23 21.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.588 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 94.3 m-70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.68 0.276 . . . . 0.0 111.124 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.904 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.98 138.08 32.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.409 0.623 . . . . 0.0 111.014 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -110.67 113.65 26.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.172 -178.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.728 ' N ' HD21 ' A' ' 20' ' ' LEU . 13.1 t -58.25 125.04 21.54 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 6.75 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.674 ' NE1' HD21 ' A' ' 24' ' ' LEU . 12.9 m95 -74.94 131.61 40.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -33.54 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.735 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -87.14 2.94 48.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.515 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 42.4 t -109.52 122.7 38.64 Favored Pre-proline 0 C--N 1.331 -0.216 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 54.4 Cg_endo -98.98 20.19 0.33 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.336 2.691 . . . . 0.0 112.646 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 143.42 34.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 0.0 111.803 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 p -117.45 163.21 16.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.714 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.895 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -112.46 156.32 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.392 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -93.48 -29.69 15.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.9 m -141.76 161.66 37.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.626 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' A' ' 3' ' ' LEU . 24.8 tp -50.78 -31.6 17.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.088 0.471 . . . . 0.0 110.358 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -70.2 -34.6 73.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.623 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.895 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 1.3 m-20 -59.21 -45.33 91.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.708 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.904 ' HG ' HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -64.52 -45.74 85.88 Favored 'General case' 0 N--CA 1.458 -0.044 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.665 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 4.8 tt0 -57.93 -48.13 80.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.721 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -72.02 -35.86 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 5.2 t60 -69.22 -47.71 64.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.006 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -67.55 -41.6 84.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.241 -179.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.811 HD23 ' N ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -66.34 -46.42 76.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.483 -179.31 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.811 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -79.23 -40.81 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.944 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 13.0 t0 -84.06 -45.96 12.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.914 ' HB2' HD23 ' A' ' 24' ' ' LEU . 95.0 m-70 -99.93 -15.06 18.46 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -177.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 24' ' ' LEU . 3.2 t -123.6 40.04 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.331 0.586 . . . . 0.0 110.93 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 7.6 t -70.1 -20.17 63.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.38 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 30' ' ' SER . 2.4 pt20 32.76 91.8 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.121 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.11 -32.27 59.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -65.48 144.31 57.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -98.09 67.24 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -80.39 120.92 80.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.16 -45.25 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.477 2.118 . . . . 0.0 112.32 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.3 ttt -140.06 100.14 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -165.66 114.31 0.8 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.87 154.13 28.11 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.424 2.082 . . . . 0.0 112.292 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.864 HD22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -106.01 143.66 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.815 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.834 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -117.98 152.04 36.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.639 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.4 t -60.52 142.47 55.25 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.409 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -108.53 35.92 3.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.512 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.6 148.25 22.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.503 178.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.7 -45.5 91.92 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -101.09 -26.19 13.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.5 t -73.13 140.05 46.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.058 0.456 . . . . 0.0 111.829 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.0 25.87 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.166 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.592 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 46.8 t80 -63.91 142.72 58.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.31 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -140.4 138.92 35.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.701 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.13 169.14 21.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.656 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -85.61 -31.47 22.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.775 0.321 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.61 173.93 11.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.993 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.791 HG22 ' CD1' ' A' ' 40' ' ' LEU . 56.9 p -64.54 -37.64 88.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.783 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.873 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.86 -36.93 84.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 p -60.47 -33.63 72.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.864 ' CD1' HD22 ' A' ' 40' ' ' LEU . 77.9 mt -71.6 -46.17 63.98 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.563 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.873 HG22 ' O ' ' A' ' 55' ' ' ALA . 3.6 m -55.27 -34.62 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.555 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.99 -41.76 73.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.272 0.558 . . . . 0.0 109.538 178.396 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.592 ' CD2' ' CD2' ' A' ' 49' ' ' PHE . 23.8 t60 -70.2 -45.08 67.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.244 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.006 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -58.3 -45.01 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.55 -38.78 90.58 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.986 -179.485 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.502 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.47 -45.38 17.65 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.51 -17.56 22.29 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 92.8 m-70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 15' ' ' SER . 2.5 p30 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.687 0.279 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.945 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -107.15 137.33 45.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.505 0.669 . . . . 0.0 111.367 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.81 113.46 26.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.974 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.75 ' N ' HD21 ' A' ' 20' ' ' LEU . 24.3 t -58.7 125.34 23.05 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.24 22.36 6.89 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.481 ' NE1' HD21 ' A' ' 24' ' ' LEU . 10.7 m95 -83.15 131.62 35.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.359 . . . . 0.0 110.213 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.2 -44.17 89.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.8 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.21 0.84 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.797 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 28.1 t -109.42 122.27 39.99 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 49.0 Cg_endo -101.06 20.73 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.531 2.82 . . . . 0.0 112.558 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.06 143.42 43.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.066 0.46 . . . . 0.0 111.782 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.3 p -121.48 163.48 18.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.584 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.721 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -110.53 156.15 21.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 111.187 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -95.23 -14.8 23.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.649 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 t -141.47 151.1 43.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.682 ' HA ' HD23 ' A' ' 3' ' ' LEU . 12.2 tp -51.05 -35.81 36.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.124 0.488 . . . . 0.0 110.431 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -70.18 -33.82 72.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.243 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.721 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 2.9 m-20 -58.57 -44.24 89.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.945 ' HG ' HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -58.58 -40.57 83.54 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.626 179.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.458 ' HG3' ' HB ' ' A' ' 58' ' ' VAL . 3.7 tt0 -59.95 -48.74 80.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.222 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -69.28 -38.66 78.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.002 0.43 . . . . 0.0 110.583 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 4.8 t60 -69.31 -47.27 64.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.93 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -69.35 -42.68 74.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.211 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.832 HD13 ' CG1' ' A' ' 58' ' ' VAL . 9.0 tp -66.49 -45.4 79.75 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.975 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -78.6 -41.56 31.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 7.6 t0 -83.8 -45.42 13.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.923 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.9 m-70 -98.73 5.66 47.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.43 ' HB ' ' HA ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -139.84 120.21 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.299 0.571 . . . . 0.0 111.552 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -26.47 60.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.862 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 44.79 77.04 0.08 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.553 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.17 -37.99 16.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.811 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 61.93 -175.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.06 40.5 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -96.03 133.16 25.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.04 -49.02 18.53 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.435 2.09 . . . . 0.0 112.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.9 ptp -175.42 47.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.716 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -112.7 93.56 24.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.019 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.82 154.37 26.79 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.538 2.159 . . . . 0.0 112.184 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.867 ' HB3' HD11 ' A' ' 57' ' ' ILE . 2.1 tp -91.66 149.09 21.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.774 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.573 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . . . -126.58 152.0 47.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.104 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.9 142.72 56.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.67 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -107.91 36.33 2.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.879 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.473 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.3 148.07 22.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.203 179.041 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -44.37 91.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -101.22 -26.06 13.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.7 t -73.96 139.85 45.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 0.0 112.039 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -120.36 25.05 10.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.052 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CD1' ' CD2' ' A' ' 60' ' ' HIS . 17.7 t80 -63.91 142.57 58.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.291 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.573 ' CD1' ' HB2' ' A' ' 41' ' ' ALA . 10.1 tp -137.18 136.24 38.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.744 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.93 169.04 21.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.17 -32.12 61.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.303 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -149.01 171.98 15.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.814 ' OG1' HD11 ' A' ' 25' ' ' LEU . 2.3 t -57.08 -48.92 77.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.885 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -55.22 -37.0 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.911 0.386 . . . . 0.0 110.668 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -63.17 -33.36 75.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.912 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.867 HD11 ' HB3' ' A' ' 40' ' ' LEU . 58.0 mt -71.23 -44.7 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.071 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.885 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.3 m -55.2 -34.36 32.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.59 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.549 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -67.69 -41.64 83.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.449 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.559 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 8.6 t60 -70.45 -43.01 70.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.753 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.93 HG21 HD13 ' A' ' 24' ' ' LEU . 1.7 mt -57.45 -45.55 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.825 -179.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.87 -36.65 84.01 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.054 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.17 -45.49 18.01 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.411 ' HB2' ' CE1' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -94.8 -17.86 21.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.18 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.633 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.8 m-70 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.827 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.674 0.274 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.81 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -86.05 131.96 34.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.403 0.62 . . . . 0.0 111.052 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.68 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -110.54 113.43 26.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.058 -179.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.945 ' HB2' HD21 ' A' ' 20' ' ' LEU . 1.7 t -58.85 125.18 22.48 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.449 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 11.3 tttp -90.08 11.88 19.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.559 ' NE1' HD21 ' A' ' 24' ' ' LEU . 15.9 m95 -73.01 131.74 42.52 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.221 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -38.28 87.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.205 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -87.23 6.09 34.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.935 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 15.2 t -109.24 122.05 40.82 Favored Pre-proline 0 CA--C 1.53 0.205 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.621 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 45.9 Cg_endo -101.65 11.87 0.43 Allowed 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.542 2.828 . . . . 0.0 112.575 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -103.6 143.32 32.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.015 0.436 . . . . 0.0 111.872 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.1 m -115.75 163.11 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.538 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.888 ' HB1' ' HB2' ' A' ' 19' ' ' ASP . . . -115.39 156.2 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.284 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.28 -23.72 18.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.221 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -141.15 159.14 42.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.773 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.743 ' HA ' HD23 ' A' ' 3' ' ' LEU . 3.2 tp -50.53 -39.47 49.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.2 0.524 . . . . 0.0 110.612 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -33.8 76.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.987 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.888 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 1.1 m-20 -58.49 -46.09 87.39 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.668 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.945 HD21 ' HB2' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -74.05 -39.24 63.63 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.404 178.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HG2' HG22 ' A' ' 58' ' ' VAL . 6.7 mt-30 -57.08 -48.67 78.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.74 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -72.98 -43.11 62.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.543 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 1.3 t60 -58.83 -40.56 84.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.444 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.912 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -64.61 -44.71 89.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.488 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 1.9 mp -66.39 -44.51 82.87 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.506 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -78.65 -41.37 31.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 12.1 t70 -83.1 -45.34 14.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.661 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 95.6 m-70 -92.69 5.21 51.89 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.488 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 33.0 t -146.0 94.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.338 0.589 . . . . 0.0 111.127 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.8 t -73.28 -29.61 62.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 61.58 108.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.97 -38.45 91.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.456 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.53 -167.57 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -76.67 103.89 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -72.91 139.07 79.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.71 -37.18 7.21 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.457 2.104 . . . . 0.0 112.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.8 53.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.782 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -109.33 99.02 34.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.58 154.02 26.87 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.14 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.801 HD13 HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -97.96 105.27 17.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -84.93 152.11 23.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.027 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 49' ' ' PHE . 1.2 t -60.42 142.34 55.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.474 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 m-80 -109.61 35.97 3.14 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.092 -0.503 . . . . 0.0 112.013 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.693 ' CZ3' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -94.52 148.35 22.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.061 0.458 . . . . 0.0 110.735 179.194 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -52.62 -51.87 58.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.76 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.23 -15.7 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 6.5 t -77.93 135.26 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.112 0.482 . . . . 0.0 111.937 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -113.37 16.74 18.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.298 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 12.2 t80 -63.86 143.11 58.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.55 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -137.32 139.4 40.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.02 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.07 156.4 21.19 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.391 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.7 -32.28 60.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.301 . . . . 0.0 111.576 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.745 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -136.37 154.53 50.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.899 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.801 HG22 HD13 ' A' ' 40' ' ' LEU . 18.8 p -53.39 -38.99 63.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -67.91 -35.39 78.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.354 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 2.8 m -71.99 -45.36 61.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 110.257 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.781 HG21 ' HB3' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -64.22 -48.05 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.119 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 21' ' ' GLN . 10.9 p -55.58 -34.87 36.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.051 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -58.21 -39.61 79.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 3.2 t60 -70.89 -41.86 70.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.582 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.912 HG21 HD13 ' A' ' 24' ' ' LEU . 4.0 mt -57.91 -44.18 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.227 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.717 ' OD1' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.94 -36.78 84.29 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.976 -179.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.491 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -79.57 -43.72 22.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.982 0.42 . . . . 0.0 112.015 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.488 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 38.0 mm-40 -93.39 -12.64 29.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.957 -178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.665 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 61.5 m-70 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.676 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' SER . 4.3 p30 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.679 0.276 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.978 HD12 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -85.73 139.82 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.257 0.551 . . . . 0.0 110.832 179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.13 112.32 24.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.654 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.8 t -59.76 125.45 23.71 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 0.53 27.55 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.726 ' NE1' HD21 ' A' ' 24' ' ' LEU . 13.2 m95 -72.9 131.75 42.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.763 0.316 . . . . 0.0 110.25 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -76.61 -35.12 58.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.426 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.03 9.88 18.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.567 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 52.4 t -109.34 122.87 38.3 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.603 0.239 . . . . 0.0 111.274 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 56.9 Cg_endo -98.47 24.49 0.22 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.316 2.677 . . . . 0.0 112.612 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -121.92 143.28 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 111.599 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -114.72 163.34 15.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.887 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.888 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . . . -110.72 157.64 19.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 70.9 m -91.6 -33.43 15.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.422 ' C ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -141.29 170.47 15.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.968 0.413 . . . . 0.0 111.758 -179.279 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' HA ' ' HG ' ' A' ' 3' ' ' LEU . 58.8 tp -50.77 -43.15 58.38 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -67.41 -35.42 79.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.613 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.839 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 8.5 t0 -60.9 -45.6 93.96 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.119 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.978 HD12 HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -62.81 -39.87 95.62 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.777 178.666 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.02 -48.27 71.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.214 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -42.3 71.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 4.0 t60 -59.33 -47.14 86.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.927 HD23 ' HB2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -69.17 -41.84 76.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.454 -179.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -66.18 -46.32 77.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.43 -179.157 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -80.0 -41.75 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 5.2 t70 -84.08 -46.38 12.03 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.927 ' HB2' HD23 ' A' ' 24' ' ' LEU . 98.1 m-70 -91.1 5.19 49.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -166.07 69.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.423 0.63 . . . . 0.0 111.18 179.591 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.3 t -73.3 -19.76 60.96 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.467 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 76.89 123.06 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.67 -38.36 58.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.028 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.15 -160.31 1.15 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.832 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -123.97 97.77 5.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -78.66 139.03 58.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.5 -38.99 3.98 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.467 2.111 . . . . 0.0 112.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ttm -154.03 82.15 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.07 91.31 3.17 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 9.7 Cg_endo -55.64 155.02 23.1 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.538 2.159 . . . . 0.0 112.62 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' A' ' 54' ' ' THR . 1.5 pt? -111.29 149.05 31.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.457 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.708 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . . . -108.0 154.34 21.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.158 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.465 ' HB2' ' HD1' ' A' ' 49' ' ' PHE . 1.8 t -58.9 142.36 50.95 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -106.86 38.48 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.53 148.14 22.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.831 0.348 . . . . 0.0 110.173 178.669 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.7 -44.88 86.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.49 -26.04 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 7.3 t -72.23 133.97 45.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.183 0.516 . . . . 0.0 112.257 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -114.51 22.82 13.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.607 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 60' ' ' HIS . 25.4 t80 -64.02 142.47 58.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.466 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.708 ' CD1' ' HB2' ' A' ' 41' ' ' ALA . 6.0 tp -136.78 143.45 43.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.526 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.04 162.98 23.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.684 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HA ' ' HB3' ' A' ' 39' ' ' PRO . 7.9 t0 -81.08 -32.05 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.58 ' C ' HD21 ' A' ' 40' ' ' LEU . 24.2 t70 -135.35 165.93 24.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.673 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -57.7 -39.44 77.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.762 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.18 -36.23 81.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.338 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.4 m -57.37 -33.98 68.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.73 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.694 ' O ' HG13 ' A' ' 61' ' ' ILE . 19.0 mt -72.48 -47.58 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.594 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 55' ' ' ALA . 2.8 m -55.84 -34.72 37.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.737 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.565 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -66.32 -42.22 88.54 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.489 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 5.9 t60 -70.51 -41.06 73.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.651 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.853 HG21 HD13 ' A' ' 24' ' ' LEU . 1.8 mt -58.6 -44.83 90.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.977 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.565 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.83 -36.9 84.75 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.004 -179.363 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.78 -44.65 18.23 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.491 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 42.1 mm-40 -94.0 -19.26 21.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.274 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 89.1 m-70 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.705 0.288 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.891 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.85 136.79 32.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.402 0.62 . . . . 0.0 111.084 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -110.9 113.0 25.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.62 -178.72 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.75 ' CA ' HD21 ' A' ' 20' ' ' LEU . 3.7 t -59.28 125.46 23.71 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -94.36 22.5 5.99 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.652 ' CE2' HD21 ' A' ' 24' ' ' LEU . 13.5 m95 -83.08 131.67 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 110.128 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -39.87 91.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.536 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.05 6.14 34.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.875 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 15.6 t -109.43 122.13 40.39 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.655 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 44.9 Cg_endo -102.39 17.49 0.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 123.616 2.878 . . . . 0.0 112.728 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -111.69 143.5 42.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.027 0.441 . . . . 0.0 111.855 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -112.4 163.34 14.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.728 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.936 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.91 156.34 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.354 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 t -94.88 -25.92 16.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.427 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 1.9 m -141.33 159.56 41.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.578 ' HA ' HD23 ' A' ' 3' ' ' LEU . 21.7 tp -50.52 -44.19 56.12 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.157 0.503 . . . . 0.0 110.294 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -61.93 -33.65 74.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.213 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.936 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 23.4 t0 -58.5 -45.37 88.89 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.293 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.891 ' HG ' HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -67.41 -45.44 76.14 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.095 178.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -47.46 82.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.799 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -72.08 -38.05 69.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 2.7 t60 -68.97 -47.41 65.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.998 HD13 HG21 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -66.6 -42.92 86.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.919 0.39 . . . . 0.0 111.71 -179.381 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 HG11 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -66.29 -46.1 78.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.423 -179.282 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -79.7 -41.66 26.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 18.1 t0 -83.44 -45.52 13.55 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -177.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.79 ' HB2' HD23 ' A' ' 24' ' ' LEU . 96.7 m-70 -89.83 5.76 44.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 31' ' ' GLN . 88.6 t -149.77 104.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.406 0.622 . . . . 0.0 111.108 179.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 t -73.09 -23.43 60.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HG2' HG12 ' A' ' 29' ' ' VAL . 15.5 mt-30 60.94 84.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.675 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -32.78 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 61.14 -177.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tptt 64.06 28.73 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -96.15 120.84 62.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.782 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.34 -49.09 13.17 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.404 2.069 . . . . 0.0 112.29 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.0 ttt -162.56 88.75 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.747 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -149.03 92.35 4.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.63 154.38 25.64 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.478 2.119 . . . . 0.0 112.229 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.838 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -91.73 131.36 37.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.587 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -114.6 152.64 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.848 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.565 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 1.9 t -60.12 142.51 54.1 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.411 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -108.67 36.13 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.49 148.1 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.898 0.38 . . . . 0.0 110.311 178.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -45.99 83.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -101.21 -26.06 13.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 10.4 t -72.72 135.82 45.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.067 0.46 . . . . 0.0 111.923 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -113.61 25.86 10.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.062 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 42.4 t80 -63.95 142.45 58.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.294 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.587 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -138.53 140.47 39.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.855 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.51 169.29 23.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.555 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.81 -32.09 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.313 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -142.22 171.8 13.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.596 ' CG2' HD13 ' A' ' 40' ' ' LEU . 40.2 p -60.01 -38.89 83.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.761 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -60.64 -36.8 79.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.002 0.43 . . . . 0.0 111.07 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -63.71 -33.5 75.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.208 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.838 HD11 ' HB3' ' A' ' 40' ' ' LEU . 80.8 mt -72.32 -47.63 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 55' ' ' ALA . 6.3 m -55.31 -34.58 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.538 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.35 -44.35 71.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.766 178.738 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.563 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 10.6 t60 -70.11 -44.49 68.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.058 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.998 HG21 HD13 ' A' ' 24' ' ' LEU . 2.7 mt -57.79 -44.81 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.044 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.91 -36.52 83.62 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.015 -179.547 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.506 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.88 -44.5 18.25 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.498 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 45.2 mm-40 -93.96 -17.99 22.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.191 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.638 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.2 m-70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.803 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.75 0.31 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.881 ' CD1' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -85.98 134.49 33.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.456 0.646 . . . . 0.0 110.909 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 113.13 25.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.325 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 6.3 t -59.08 125.3 23.04 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.38 21.63 7.86 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.651 ' CZ2' HD21 ' A' ' 24' ' ' LEU . 14.6 m95 -80.69 131.83 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -65.03 -40.13 94.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.609 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -87.13 6.54 32.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 17.6 t -109.4 122.38 39.68 Favored Pre-proline 0 CA--C 1.53 0.174 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.666 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 47.9 Cg_endo -101.82 20.41 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.541 2.827 . . . . 0.0 112.559 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -116.18 143.38 45.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.066 0.46 . . . . 0.0 111.744 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.0 p -114.26 163.43 15.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.548 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.948 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.57 156.1 21.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -94.73 -23.83 17.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.68 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -141.49 157.98 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.64 0.257 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HA ' HD23 ' A' ' 3' ' ' LEU . 31.5 tp -50.58 -44.08 56.72 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.175 0.512 . . . . 0.0 110.072 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.43 -33.92 76.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.963 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.948 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 6.6 t70 -58.72 -45.34 89.81 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.994 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.881 HD22 ' CD1' ' A' ' 3' ' ' LEU . 4.2 tp -63.37 -46.08 88.16 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 120.124 -0.63 . . . . 0.0 109.727 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' HG2' ' HB ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -57.88 -45.57 86.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.86 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -72.09 -38.78 69.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.664 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.5 t60 -69.19 -47.54 64.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.95 HD13 HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -66.29 -43.82 85.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.841 0.353 . . . . 0.0 111.559 -179.362 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.31 -45.93 78.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.453 -179.242 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -79.18 -41.42 28.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 29.9 t0 -83.3 -45.74 13.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.726 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 97.5 m-70 -93.18 5.5 51.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.472 HG11 HG23 ' A' ' 54' ' ' THR . 34.2 t -151.74 91.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.193 0.52 . . . . 0.0 111.012 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -56.91 -31.88 65.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 61.81 73.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.99 -38.3 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.42 -165.03 0.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.717 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -122.97 81.98 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB2' ' HG2' ' A' ' 38' ' ' GLU . 17.0 m-70 -88.55 120.91 70.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.15 -35.19 2.49 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.508 2.139 . . . . 0.0 112.455 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.0 ttt -57.84 -29.12 64.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 35' ' ' HIS . 0.6 OUTLIER -117.63 93.56 43.81 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.033 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.68 155.02 23.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.774 2.316 . . . . 0.0 112.202 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.845 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -90.82 105.61 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.125 0.488 . . . . 0.0 110.452 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -102.8 152.35 21.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.981 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.577 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 4.2 t -60.56 142.46 55.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.501 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.424 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -108.5 39.11 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.542 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.5 148.19 22.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.935 0.397 . . . . 0.0 110.386 178.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -52.32 42.91 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -101.27 -26.13 13.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.8 t -66.49 138.94 57.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.122 0.487 . . . . 0.0 111.85 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.75 27.11 8.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.139 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.577 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 26.9 t80 -63.83 142.57 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.278 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -133.36 144.95 49.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.797 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.42 169.09 24.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.574 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -83.41 -32.0 26.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -144.27 179.15 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.472 HG23 HG11 ' A' ' 29' ' ' VAL . 9.5 m -65.77 -41.35 92.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.788 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -59.52 -36.86 76.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.977 0.418 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -63.17 -33.31 75.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.216 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.845 ' CD1' HD12 ' A' ' 40' ' ' LEU . 57.5 mt -71.95 -47.32 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.72 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.788 HG22 ' O ' ' A' ' 55' ' ' ALA . 4.0 m -55.52 -34.25 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.629 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.539 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -68.86 -41.77 77.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.505 178.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.55 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 8.0 t60 -70.25 -44.76 67.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.856 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.95 HG21 HD13 ' A' ' 24' ' ' LEU . 1.5 mt -57.75 -44.1 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.58 -37.36 86.43 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.946 -179.412 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.504 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.41 -44.31 19.53 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 15.9 mm-40 -93.8 -17.27 23.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.24 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 87.5 m-70 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.69 0.281 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.882 HD12 ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -93.12 139.09 30.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.441 0.639 . . . . 0.0 111.111 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.55 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -110.52 113.05 25.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.388 -178.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.808 ' N ' HD21 ' A' ' 20' ' ' LEU . 2.3 t -59.0 125.85 25.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -86.65 15.73 5.37 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.83 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.722 ' HE1' HD21 ' A' ' 24' ' ' LEU . 15.3 m95 -82.7 131.67 35.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 0.0 110.289 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -37.95 80.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.585 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -87.32 9.97 18.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.765 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 t -109.37 122.17 40.35 Favored Pre-proline 0 C--N 1.331 -0.211 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.544 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -101.96 15.23 0.33 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.56 2.84 . . . . 0.0 112.807 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -110.75 143.44 41.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.054 0.454 . . . . 0.0 111.933 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.5 p -116.09 163.14 16.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.652 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.653 ' HB1' ' CB ' ' A' ' 19' ' ' ASP . . . -111.49 156.36 21.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.398 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.7 p -92.7 -22.93 19.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.262 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -141.28 157.54 45.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 110.978 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' ' 3' ' ' LEU . 9.7 tp -50.94 -37.41 44.13 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.028 0.442 . . . . 0.0 110.862 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -68.51 -34.47 75.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.219 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.653 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 7.3 m-20 -59.21 -45.08 92.04 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.882 ' HG ' HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -63.5 -44.32 94.68 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 120.139 -0.625 . . . . 0.0 110.594 179.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.494 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 3.8 tt0 -57.98 -49.73 75.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.678 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -68.21 -46.38 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.444 -179.498 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -59.06 -34.74 72.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.897 HD13 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -70.0 -49.36 52.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.759 -179.596 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.741 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -62.46 -44.76 95.63 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.803 -179.034 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 1.6 pttp -79.37 -42.01 26.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 t70 -84.09 -41.6 16.97 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -177.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 95.5 m-70 -93.09 -2.32 55.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 25' ' ' LEU . 7.7 m -157.37 91.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.274 0.559 . . . . 0.0 111.886 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.9 t -64.68 -19.59 65.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.039 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 80.07 84.94 0.05 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.77 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -63.07 -21.57 66.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.272 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 1.3 m-85 73.59 -57.24 0.63 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.226 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.47 80.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.796 0.332 . . . . 0.0 110.974 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' PHE . 74.9 m80 -96.24 139.34 21.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.65 -48.81 15.35 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.559 2.173 . . . . 0.0 112.062 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mtm -108.35 -73.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.655 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' CB ' ' HD3' ' A' ' 39' ' ' PRO . 2.3 mt-10 171.34 -54.16 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 38' ' ' GLU . 38.3 Cg_exo -60.78 154.28 56.66 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.501 2.134 . . . . 0.0 112.485 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.901 ' HB3' HD11 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -116.6 149.27 39.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.55 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -117.36 151.95 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.0 t -60.77 142.55 55.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.587 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -109.44 38.25 2.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -94.41 148.24 22.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.861 0.363 . . . . 0.0 110.267 178.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.29 -50.15 67.97 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -101.33 -26.19 13.7 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 12.7 t -70.12 138.65 52.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.084 0.469 . . . . 0.0 111.93 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -117.16 27.82 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.035 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.612 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 41.0 t80 -63.94 142.77 58.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.314 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 6.2 tt -140.18 136.98 34.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.786 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.87 168.88 21.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.71 -28.98 30.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -141.04 169.82 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.425 ' HA ' HD12 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -62.93 -46.24 88.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.872 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.4 -36.96 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -59.82 -33.52 71.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.644 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.901 HD11 ' HB3' ' A' ' 40' ' ' LEU . 34.3 mt -71.45 -42.97 73.05 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.534 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' ' 55' ' ' ALA . 1.7 m -55.5 -34.41 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.113 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -69.3 -41.01 77.34 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.245 178.294 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.612 ' CD2' ' CD2' ' A' ' 49' ' ' PHE . 17.4 t60 -70.18 -43.61 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.801 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.897 HG21 HD13 ' A' ' 24' ' ' LEU . 1.6 mt -57.64 -45.61 86.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.88 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.77 -37.6 86.76 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.096 -179.449 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.37 -45.5 17.64 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.78 -16.2 23.19 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.58 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 90.6 m-70 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 15' ' ' SER . 18.5 t0 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.715 0.293 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.88 HD23 ' CB ' ' A' ' 20' ' ' LEU . 5.8 tp -111.14 129.26 55.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.547 0.689 . . . . 0.0 111.223 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -110.63 113.66 26.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.799 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.697 ' HA ' HD11 ' A' ' 20' ' ' LEU . 29.4 t -58.18 125.16 22.03 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -100.39 28.69 4.83 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 7.9 m95 -82.24 131.63 35.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -64.69 -40.67 95.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.595 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -86.98 5.66 36.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.699 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 7' ' ' TRP . 36.0 t -109.67 122.58 38.84 Favored Pre-proline 0 C--N 1.332 -0.187 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 53.1 Cg_endo -101.26 34.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.49 2.794 . . . . 0.0 112.423 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.92 143.45 48.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.104 0.478 . . . . 0.0 111.882 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 p -115.06 163.94 14.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.558 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.972 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.14 156.34 20.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER -91.35 -26.65 18.81 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.55 165.16 28.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 111.408 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.778 ' HA ' HD22 ' A' ' 3' ' ' LEU . 11.9 tp -52.83 -36.79 59.21 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 121.255 0.55 . . . . 0.0 110.264 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -70.74 -34.71 72.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.09 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.972 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 43.2 t0 -59.44 -45.46 91.5 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.88 ' CB ' HD23 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -67.87 -42.43 81.3 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.312 179.298 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 7.3 tt0 -57.99 -48.41 80.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -39.52 77.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.438 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.6 t60 -69.33 -47.19 65.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.923 HD13 HG21 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -69.3 -43.83 73.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.265 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -66.15 -46.0 79.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.74 0.305 . . . . 0.0 111.726 -178.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -79.09 -41.95 27.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 5.2 t70 -84.15 -45.44 12.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.842 ' HB2' HD23 ' A' ' 24' ' ' LEU . 97.2 m-70 -91.74 5.92 47.94 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.605 HG11 HD21 ' A' ' 40' ' ' LEU . 41.4 t -135.69 96.02 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-O 121.617 0.722 . . . . 0.0 111.647 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.0 t -61.5 -19.48 62.12 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.883 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 80.5 -179.67 0.09 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 2.6 m-20 -62.72 -38.08 89.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.351 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.1 t80 68.1 -67.27 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.966 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.54 33.85 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' A' ' 32' ' ' ASP . 2.5 m-70 -83.73 139.17 40.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.97 -45.0 1.62 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.543 2.162 . . . . 0.0 112.239 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.0 mtt -163.62 76.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.95 104.76 35.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.69 154.49 25.53 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.528 2.152 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.977 HD23 HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -91.61 111.01 22.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.71 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.717 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -108.81 152.86 24.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.891 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.614 ' HB2' ' HD2' ' A' ' 49' ' ' PHE . 3.5 t -60.05 142.49 53.95 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.772 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.429 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.4 m-80 -112.35 40.86 2.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.125 -178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.594 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.31 148.19 22.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.368 179.124 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -50.94 58.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.23 -26.14 13.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.5 t -68.76 136.81 53.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.129 0.49 . . . . 0.0 111.819 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.69 25.08 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.146 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.614 ' HD2' ' HB2' ' A' ' 42' ' ' CYS . 33.2 t80 -63.9 142.32 58.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.182 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -133.49 141.27 47.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.908 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.8 169.12 22.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.396 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -93.29 -31.99 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -134.7 169.13 17.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.934 ' HA ' HD22 ' A' ' 40' ' ' LEU . 42.3 p -60.82 -36.93 80.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.655 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -67.06 -36.29 81.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.313 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -33.73 72.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.977 HD12 HD23 ' A' ' 40' ' ' LEU . 34.4 mt -72.45 -48.73 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 55' ' ' ALA . 35.7 m -55.82 -34.64 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.586 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -66.32 -41.71 89.26 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.374 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 7.4 t60 -70.76 -44.02 67.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.798 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.923 HG21 HD13 ' A' ' 24' ' ' LEU . 1.7 mt -61.2 -43.56 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.94 -38.48 88.74 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.858 -179.619 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.491 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.39 -44.86 18.68 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -19.45 20.76 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.633 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 95.6 m-70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.707 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.651 0.262 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.029 HD12 HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -86.32 138.21 32.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.422 0.63 . . . . 0.0 110.866 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -110.91 113.23 25.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.556 -178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.779 ' HA ' HD11 ' A' ' 20' ' ' LEU . 2.0 t -59.23 125.25 22.86 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 7.08 29.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.459 ' NE1' HD21 ' A' ' 24' ' ' LEU . 15.1 m95 -73.05 131.52 42.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.137 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -70.21 -36.85 74.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.353 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -87.08 7.56 27.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.602 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.1 t -109.34 122.4 39.7 Favored Pre-proline 0 C--N 1.331 -0.203 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.538 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 45.3 Cg_endo -100.83 18.06 0.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.531 2.821 . . . . 0.0 112.595 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.65 143.3 41.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.063 0.458 . . . . 0.0 111.8 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -113.42 163.47 14.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.659 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.895 ' HB1' ' HB3' ' A' ' 19' ' ' ASP . . . -110.61 156.17 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.077 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.8 p -95.87 -28.13 14.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.593 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 1.6 t -141.43 160.01 41.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.305 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.62 ' HA ' HD23 ' A' ' 3' ' ' LEU . 34.5 tp -50.74 -35.73 32.96 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.191 0.52 . . . . 0.0 110.304 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -70.27 -33.85 72.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.302 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.895 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 9.0 t70 -58.9 -44.81 91.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.716 -178.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.029 HD13 HD12 ' A' ' 3' ' ' LEU . 1.1 tp -58.82 -46.55 87.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.421 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' CG ' ' HB ' ' A' ' 58' ' ' VAL . 8.1 tt0 -60.08 -48.93 79.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.332 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.37 -46.18 89.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.037 0.446 . . . . 0.0 110.947 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.462 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 1.3 t60 -69.96 -45.5 67.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.249 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.99 HD13 HG21 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -69.71 -47.72 62.12 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.542 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -65.41 -44.51 87.17 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -177.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HG2' ' CD2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -79.1 -41.15 29.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 6.2 t0 -83.07 -42.01 17.95 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -176.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.736 ' HD2' ' HA ' ' A' ' 24' ' ' LEU . 92.9 m-70 -89.2 5.84 42.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.542 ' HB ' ' O ' ' A' ' 25' ' ' LEU . 97.0 t -125.37 93.93 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.028 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -73.35 -29.77 62.88 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.314 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -56.93 96.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.019 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.08 -35.47 18.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -59.9 145.13 46.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -103.01 79.32 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -82.91 125.7 74.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.5 -27.45 7.65 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.459 2.106 . . . . 0.0 112.432 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -98.19 36.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -150.26 86.22 5.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.73 154.44 25.97 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.609 2.206 . . . . 0.0 112.474 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.856 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -91.65 118.92 31.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.713 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 50' ' ' LEU . . . -112.78 151.84 29.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.735 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -61.14 142.75 56.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.922 179.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.4 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 1.5 m-80 -106.3 35.03 3.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.539 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.36 148.54 22.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.752 179.469 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -54.99 -50.75 68.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.341 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -101.34 -26.27 13.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 44' ' ' TRP . 8.9 t -67.58 134.41 51.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.076 0.465 . . . . 0.0 111.732 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -114.32 24.81 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.202 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' CG ' ' CD2' ' A' ' 60' ' ' HIS . 15.0 t80 -63.94 142.19 58.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.211 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 41' ' ' ALA . 33.5 tp -139.7 143.82 37.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.78 169.06 23.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.415 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.24 -28.87 47.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.717 0.294 . . . . 0.0 111.264 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.19 178.29 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 58' ' ' VAL . 14.6 p -60.57 -31.01 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.656 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -64.44 -36.4 84.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.06 -33.75 76.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.485 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.856 ' CD1' HD12 ' A' ' 40' ' ' LEU . 81.1 mt -72.64 -48.32 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 55' ' ' ALA . 10.1 m -55.95 -37.5 48.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.984 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 1.2 t30 -69.95 -43.74 70.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.545 ' CD2' ' CG ' ' A' ' 49' ' ' PHE . 13.1 t60 -70.09 -47.3 62.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.621 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.99 HG21 HD13 ' A' ' 24' ' ' LEU . 3.2 mt -57.7 -43.06 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -65.54 -37.84 87.88 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.668 -179.72 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' N ' ' ND2' ' A' ' 62' ' ' ASN . . . -80.78 -44.3 18.79 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 60' ' ' HIS . 14.3 mm-40 -93.57 -15.79 25.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.137 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.644 ' HD2' ' HA ' ' A' ' 61' ' ' ILE . 86.9 m-70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.79 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_