data_2ly6_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 2ly6 _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' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 121.112 0.482 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -82.21 115.92 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.577 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -123.65 138.84 54.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -112.43 129.64 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.615 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.672 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.3 p90 -140.19 113.85 8.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.486 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 11' ' ' TYR . 81.0 mt-10 -68.3 -85.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.715 -176.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 73.7 m-20 61.39 -57.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.303 -175.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.83 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.9 p90 -121.31 105.21 39.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.361 174.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.562 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.7 Cg_exo -47.97 -176.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.032 2.488 . . . . 0.0 112.382 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.14 -9.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.612 -177.553 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.562 ' H ' ' C ' ' A' ' 12' ' ' PRO . 31.5 m -40.68 -48.58 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.3 mttm -84.05 -36.03 23.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.2 t -51.47 -5.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.58 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.609 ' H ' ' C ' ' A' ' 15' ' ' LYS . 79.0 mm-40 -57.08 -23.36 46.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.519 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.9 mt -126.26 116.03 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.478 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.07 -13.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.505 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 18' ' ' LEU . 46.7 m-20 -87.63 -15.1 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.34 -49.78 12.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 54.3 m -49.44 -60.43 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.522 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.56 -49.92 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.602 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.33 -60.09 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.584 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 29' ' ' ASP . 76.9 m-20 -62.66 -43.81 97.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.591 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -62.1 -34.02 75.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 49.2 mtpt -80.87 -35.72 32.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.13 -24.39 30.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ASP . 39.8 m-20 -90.17 -61.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 -176.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.2 mmtt -112.67 -2.52 14.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.54 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.8 m-70 66.8 61.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.98 -166.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.565 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -116.4 -45.31 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.581 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 28.0 m -123.35 -14.55 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.653 -177.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.69 68.27 0.29 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -88.59 145.21 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.57 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -83.79 155.72 22.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 70.4 m-85 -147.17 169.91 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 79.5 m-85 -99.79 123.89 44.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.567 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -103.03 -158.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.5 -24.43 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 44' ' ' ASN . 26.1 mtmm -96.79 18.61 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 43.82 24.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 42' ' ' LYS . 44.8 m-20 -96.15 149.9 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.536 ' H ' HG12 ' A' ' 13' ' ' VAL . 3.2 mt -80.88 108.34 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -110.96 122.94 49.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.548 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.508 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 40.1 m -60.51 111.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.525 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mt -101.75 119.33 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 99.6 m -78.2 118.38 20.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -111.46 114.32 27.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.604 -178.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.696 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -105.01 62.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.514 177.657 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.696 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.0 m -172.49 -167.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.523 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -105.16 75.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.607 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.1 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.558 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 121.148 0.499 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -80.15 116.24 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.55 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -123.26 138.19 54.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.0 p -111.98 128.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.701 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.667 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 11.0 p90 -138.74 114.13 9.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.529 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 11' ' ' TYR . 85.8 mt-10 -68.37 -85.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.714 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 81.9 m-20 61.22 -58.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.332 -175.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.827 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.2 p90 -121.45 105.23 39.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.363 174.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.559 ' C ' ' H ' ' A' ' 14' ' ' SER . 51.3 Cg_exo -48.4 -177.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 123.087 2.525 . . . . 0.0 112.357 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -48.86 -10.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.598 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.559 ' H ' ' C ' ' A' ' 12' ' ' PRO . 21.4 t -40.81 -51.21 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.604 ' C ' ' H ' ' A' ' 17' ' ' GLN . 51.0 mttm -83.28 -37.92 22.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.469 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.4 t -51.54 -4.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.604 ' H ' ' C ' ' A' ' 15' ' ' LYS . 77.7 mm-40 -56.52 -22.7 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.473 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt -124.79 116.78 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.551 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.92 -14.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.559 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -87.26 -16.19 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.63 -50.31 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.512 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 54.6 m -49.47 -60.78 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.44 -49.78 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.42 -59.78 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.638 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ASP . 76.1 m-20 -62.96 -44.46 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -61.68 -34.18 75.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.634 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.7 mtpt -80.85 -35.95 32.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.25 -24.66 29.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.498 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' ASP . 54.0 m-20 -89.67 -61.62 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 -176.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.0 mmtt -113.19 -2.65 14.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 -176.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.532 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.6 m-70 66.51 62.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.665 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.471 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -89.77 -163.82 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -115.47 -50.63 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.457 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 9.4 t -123.5 -8.43 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.633 -177.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.85 67.48 0.34 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -83.35 145.0 29.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 0.0 110.59 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.05 155.23 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 88.1 m-85 -147.32 167.96 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.403 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 74.8 m-85 -95.49 125.42 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.473 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' HB3' ' H ' ' A' ' 41' ' ' GLU . 66.5 m-20 -103.62 -159.44 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' H ' ' HB3' ' A' ' 40' ' ' ASP . 97.1 mt-10 -64.33 -22.02 66.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 44' ' ' ASN . 25.9 mtmm -99.07 20.3 13.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.505 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 42.58 23.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.553 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 42' ' ' LYS . 54.1 m-20 -96.75 151.14 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.503 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 4.9 mt -82.59 112.0 19.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -112.39 121.49 45.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.518 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 37.7 m -60.0 111.59 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.595 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 mt -102.44 118.71 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 97.0 m -77.09 120.91 22.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.55 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -113.84 111.49 21.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.711 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -102.41 61.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.553 177.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.711 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 11.1 m -172.56 -167.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -105.07 73.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.604 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.605 179.525 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 121.137 0.494 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -78.32 116.57 18.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.551 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -124.53 136.29 53.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -108.01 127.19 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.625 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.689 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 5.3 p90 -136.87 114.82 11.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.6 ' O ' ' N ' ' A' ' 11' ' ' TYR . 77.8 mt-10 -69.48 -83.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.707 -176.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 84.9 m-20 60.84 -59.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.387 -175.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 38.3 p90 -121.99 106.68 36.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.31 173.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.59 ' C ' ' H ' ' A' ' 14' ' ' SER . 56.0 Cg_exo -47.23 -176.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.04 2.493 . . . . 0.0 112.364 -177.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -46.92 -11.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 -178.066 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.59 ' H ' ' C ' ' A' ' 12' ' ' PRO . 23.0 t -41.84 -49.19 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.527 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.619 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.9 mmtt -81.96 -40.79 21.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.487 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 54.1 t -52.11 -4.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.619 ' H ' ' C ' ' A' ' 15' ' ' LYS . 82.0 mm-40 -56.27 -25.87 49.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.9 mt -123.94 111.58 16.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.534 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.16 -12.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.47 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.521 ' H ' ' C ' ' A' ' 18' ' ' LEU . 47.8 m-20 -86.73 -30.95 21.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' LEU . 2.1 tm0? -64.24 -48.41 75.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.562 -178.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 58.2 m -49.25 -62.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.549 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.505 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.96 -50.34 14.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -52.78 -60.62 3.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' ASP . 93.2 m-20 -62.87 -44.17 96.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.591 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.13 -34.7 75.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.82 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.0 mtpt -81.43 -35.75 30.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.501 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -83.42 -24.31 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.459 ' OD2' ' OH ' ' A' ' 8' ' ' TYR . 72.8 m-20 -91.55 -62.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -110.53 -2.83 16.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.467 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.542 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.2 m-70 66.42 59.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.12 -163.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -115.79 -51.73 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 16.0 m -123.64 -7.14 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -177.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.72 66.79 0.37 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -81.34 147.4 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.61 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -94.3 154.78 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 84.6 m-85 -148.08 170.2 18.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.434 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 72.0 m-85 -97.16 127.71 43.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -103.5 -158.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.638 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -67.3 -20.1 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ASN . 42.8 mtmt -99.92 20.89 13.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 43.2 20.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.521 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' LYS . 53.6 m-20 -94.56 151.33 19.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.55 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.434 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 4.8 mt -82.52 120.32 25.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -120.92 121.21 37.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.528 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.1 m -60.42 112.09 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.581 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mt -101.22 117.56 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 90.4 m -76.06 119.33 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -112.03 115.11 28.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -178.247 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.704 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -105.54 62.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.588 177.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.704 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.2 m -172.76 -167.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.533 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -106.6 74.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 179.659 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.907 0.384 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -70.43 116.69 11.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -123.6 138.33 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.536 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 p -113.37 129.32 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.671 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.8 p90 -140.05 113.88 8.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.452 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.602 ' O ' ' N ' ' A' ' 11' ' ' TYR . 84.7 mt-10 -68.34 -85.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.749 -176.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 78.5 m-20 61.38 -57.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.333 -175.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.826 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.1 p90 -121.38 105.04 39.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.299 174.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.571 ' C ' ' H ' ' A' ' 14' ' ' SER . 50.7 Cg_exo -48.4 -177.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.086 2.524 . . . . 0.0 112.418 -177.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -48.64 -10.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.597 -178.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.571 ' H ' ' C ' ' A' ' 12' ' ' PRO . 29.7 t -40.76 -51.34 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.535 -177.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.607 ' C ' ' H ' ' A' ' 17' ' ' GLN . 86.2 mttt -83.26 -38.06 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 42.2 t -51.48 -4.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.627 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.607 ' H ' ' C ' ' A' ' 15' ' ' LYS . 78.3 mm-40 -56.35 -23.62 38.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.447 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.9 mt -124.29 115.16 20.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.48 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.74 -13.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 18' ' ' LEU . 50.7 m-20 -87.33 -17.36 32.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.0 tm0? -78.04 -49.45 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.0 m -49.61 -60.77 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.48 -49.52 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.57 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -53.79 -60.22 3.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 29' ' ' ASP . 70.5 m-20 -62.22 -42.87 99.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.635 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -63.21 -34.68 78.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.2 mtpp -79.96 -34.94 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.531 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.44 -24.8 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 25' ' ' ASP . 52.5 m-20 -90.27 -61.97 1.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 59.6 mmtt -111.61 -3.26 15.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 19.1 m-70 67.06 60.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.99 -165.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -116.78 -47.19 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 29.7 m -123.39 -11.63 7.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.694 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.66 67.18 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -83.66 145.48 28.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.564 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.26 155.19 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -147.59 166.92 25.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.411 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 77.0 m-85 -94.42 124.81 38.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -103.42 -158.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.65 -22.97 67.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.626 ' NZ ' ' ND2' ' A' ' 44' ' ' ASN . 8.0 mtpm? -98.05 19.71 13.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 42.84 23.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.626 ' ND2' ' NZ ' ' A' ' 42' ' ' LYS . 54.5 m-20 -96.83 151.64 19.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 4.5 mt -82.69 111.54 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -112.13 121.48 45.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.51 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.513 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 35.5 m -60.09 111.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 mt -102.76 117.53 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 93.4 m -75.47 119.43 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -116.06 113.95 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 -178.057 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.675 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -107.73 62.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.546 177.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.675 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -171.0 -167.44 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -96.88 75.67 2.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.2 p90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 179.642 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.258 0.551 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -72.94 116.73 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.523 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -125.71 139.81 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -111.79 130.29 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.674 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 8.9 p90 -140.02 113.98 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.489 177.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.591 ' O ' ' N ' ' A' ' 11' ' ' TYR . 80.8 mt-10 -68.81 -85.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 67.2 m-20 61.77 -57.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.339 -175.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.825 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.3 p90 -121.28 105.24 39.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.356 174.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.56 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.4 Cg_exo -47.82 -176.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.035 2.49 . . . . 0.0 112.413 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.53 HG13 ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.35 -9.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.544 -177.473 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.56 ' H ' ' C ' ' A' ' 12' ' ' PRO . 20.6 m -40.82 -48.12 3.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 -177.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.61 ' C ' ' H ' ' A' ' 17' ' ' GLN . 82.8 mttt -84.45 -36.1 22.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.457 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.0 t -51.42 -5.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.61 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.1 mm-40 -56.98 -23.77 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.519 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.9 mt -125.88 116.24 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.09 -14.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.481 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 18' ' ' LEU . 46.7 m-20 -87.66 -14.72 39.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.7 tm0? -78.58 -50.03 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.579 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.7 m -49.49 -60.46 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.519 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.63 -49.9 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.3 -60.2 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' ASP . 79.4 m-20 -62.41 -43.58 98.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -62.23 -34.33 76.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.582 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 19.9 mtpp -80.97 -35.34 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.514 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.37 -24.89 29.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ASP . 49.5 m-20 -90.1 -61.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.487 -176.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 61.0 mmtt -111.22 -6.54 14.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 -176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 19.2 m-70 69.65 60.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.635 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.13 -164.86 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.58 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -116.06 -47.88 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.504 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.466 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.7 p -122.65 -12.91 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.668 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.452 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.7 67.93 0.3 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -87.49 144.6 26.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.538 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -84.02 155.46 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.632 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 71.1 m-85 -147.19 169.36 19.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.584 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 80.0 m-85 -98.62 124.42 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -103.15 -159.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.0 -23.55 67.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.58 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -98.15 19.2 14.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 43.7 24.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -96.26 148.55 22.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.587 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.53 ' H ' HG13 ' A' ' 13' ' ' VAL . 3.5 mt -79.88 108.25 13.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.624 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -110.64 122.68 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.479 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.498 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 39.7 m -60.25 111.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.548 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 mt -101.52 118.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.598 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 91.1 m -77.01 121.3 23.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.552 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -116.06 113.14 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -178.298 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.666 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.46 62.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 177.162 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.0 m -170.56 -168.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -96.9 75.47 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.5 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 179.633 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.1 m . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.987 0.422 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -79.68 116.42 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.603 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -124.37 138.57 54.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 p -109.93 127.79 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.679 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.698 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 4.7 p90 -138.43 113.93 9.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.61 ' O ' ' N ' ' A' ' 11' ' ' TYR . 75.8 mt-10 -69.46 -81.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.735 -176.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 95.5 m-20 60.47 -58.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.318 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 34.9 p90 -121.73 106.97 36.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.36 173.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.598 ' C ' ' H ' ' A' ' 14' ' ' SER . 67.5 Cg_exo -46.11 -176.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 123.016 2.477 . . . . 0.0 112.424 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 HG13 ' H ' ' A' ' 45' ' ' LEU . 1.2 m -47.44 -10.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.576 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.598 ' H ' ' C ' ' A' ' 12' ' ' PRO . 17.8 m -41.53 -47.0 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.517 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 17' ' ' GLN . 19.2 mmtp -81.72 -38.03 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.87 -4.67 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.583 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 15' ' ' LYS . 81.4 mm-40 -57.8 -26.88 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.488 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -125.59 117.14 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.469 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.25 -14.14 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.469 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 18' ' ' LEU . 33.8 m-20 -88.35 -14.72 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -77.94 -51.54 10.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.4 m -48.51 -62.09 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.502 -178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.24 -50.49 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 -179.669 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -52.73 -61.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.625 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.486 ' HB2' ' HH ' ' A' ' 11' ' ' TYR . 90.1 m-20 -62.71 -43.17 99.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.629 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.556 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.84 -34.58 76.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.3 mtpp -81.79 -35.38 29.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -83.28 -24.73 32.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' ASP . 51.1 m-20 -92.04 -62.58 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.483 -176.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 57.6 mmtt -109.01 -3.56 17.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 -176.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.546 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.7 m-70 66.59 59.6 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.465 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -86.48 -164.84 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.543 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -116.12 -49.56 2.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 4.9 p -123.0 -10.94 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.618 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.54 67.5 0.32 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -86.29 146.12 26.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.5 m -86.84 155.24 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 74.2 m-85 -147.63 169.95 18.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 78.2 m-85 -98.74 124.47 43.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -103.4 -162.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.81 -25.43 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -95.71 18.32 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.637 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 43.83 25.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.58 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -96.98 150.49 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.512 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' H ' HG13 ' A' ' 13' ' ' VAL . 4.2 mt -81.4 109.25 15.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.6 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -111.5 122.7 48.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.5 m -60.22 110.07 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.0 mt -99.53 117.49 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.558 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 87.8 m -76.57 119.4 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.593 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -111.44 116.48 30.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.71 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -106.56 62.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 177.679 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.71 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.1 m -172.89 -167.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -105.42 73.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.613 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 179.685 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 121.289 0.566 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -79.02 116.71 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.582 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -123.29 140.41 53.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.95 127.97 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.761 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.754 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 3.1 p90 -140.97 110.33 6.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 11' ' ' TYR . 73.6 mt-10 -73.18 -81.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.704 -175.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 80.7 m-20 61.07 -57.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.281 -175.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.822 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 53.8 p90 -120.77 105.61 40.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.349 174.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.58 ' C ' ' H ' ' A' ' 14' ' ' SER . 53.3 Cg_exo -47.65 -176.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.017 2.478 . . . . 0.0 112.419 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.504 HG13 ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -49.32 -9.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.527 -177.605 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.58 ' H ' ' C ' ' A' ' 12' ' ' PRO . 46.6 m -40.69 -49.96 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.478 -177.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.606 ' C ' ' H ' ' A' ' 17' ' ' GLN . 59.2 mttp -83.57 -34.55 25.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' CB ' ' A' ' 45' ' ' LEU . 42.0 t -51.37 -5.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.567 -177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.606 ' H ' ' C ' ' A' ' 15' ' ' LYS . 78.2 mm-40 -57.13 -21.25 31.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -128.13 116.54 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.553 178.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.48 -15.15 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.488 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -87.91 -12.21 45.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.1 tm0? -78.75 -51.08 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 56.1 m -49.63 -60.93 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.78 -50.04 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -52.7 -61.2 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 29' ' ' ASP . 79.3 m-20 -62.64 -42.29 99.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -58.77 -40.6 84.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 19.7 mtpp -75.43 -36.92 60.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.56 -23.61 34.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.587 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 25' ' ' ASP . 66.4 m-20 -91.36 -61.18 1.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -114.15 -0.69 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.531 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 19.8 m-70 65.77 58.71 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -86.7 -168.62 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -117.36 -41.33 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 8.0 p -122.86 -19.66 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.626 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.17 68.23 0.26 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -92.66 147.56 22.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.549 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -83.65 155.26 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.641 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 84.6 m-85 -148.71 169.82 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 77.3 m-85 -98.6 124.09 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.518 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -103.38 -156.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.618 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.82 -24.55 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' A' ' 44' ' ' ASN . 49.6 mtpt -97.21 19.77 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 43.14 23.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.563 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 42' ' ' LYS . 42.7 m-20 -95.18 149.08 21.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' H ' HG13 ' A' ' 13' ' ' VAL . 3.3 mt -80.49 108.51 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -111.68 125.12 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.424 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 53.1 m -62.83 109.33 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.81 117.14 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.623 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.7 m -78.74 113.6 16.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -106.6 119.73 40.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.605 -178.239 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.68 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -109.86 62.41 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 177.246 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.0 m -171.98 -167.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 -178.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -104.8 75.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.7 p90 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.503 179.512 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.726 0.298 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -75.66 116.1 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.672 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -124.15 138.07 54.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -109.39 128.05 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.681 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 6.6 p90 -137.14 115.25 11.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.497 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.614 ' O ' ' N ' ' A' ' 11' ' ' TYR . 79.4 mt-10 -69.15 -82.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.724 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 95.6 m-20 60.27 -59.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.331 -175.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.774 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 40.3 p90 -122.11 106.87 35.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.355 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.587 ' C ' ' H ' ' A' ' 14' ' ' SER . 53.2 Cg_exo -47.56 -176.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.039 2.493 . . . . 0.0 112.397 -177.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -47.15 -11.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.54 -178.181 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.587 ' H ' ' C ' ' A' ' 12' ' ' PRO . 19.7 m -41.98 -48.75 4.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.639 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.62 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.4 mmtt -82.29 -40.52 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.463 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 53.8 t -51.82 -4.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.614 -177.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.62 ' H ' ' C ' ' A' ' 15' ' ' LYS . 81.0 mm-40 -56.61 -25.53 53.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.6 mt -124.45 115.63 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 178.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.07 -13.65 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.471 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 18' ' ' LEU . 41.8 m-20 -87.44 -17.05 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.601 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.401 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 1.8 tm0? -77.86 -49.99 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.66 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.6 m -48.75 -62.66 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.503 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.81 -50.18 14.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.616 -179.608 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -53.19 -60.7 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.603 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' ASP . 92.5 m-20 -63.02 -43.07 99.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.646 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.89 -34.45 74.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 71.8 mttt -80.29 -37.39 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.52 -23.96 34.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 25' ' ' ASP . 64.5 m-20 -90.77 -61.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 -176.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -113.09 -2.13 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.549 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.6 m-70 66.24 61.02 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.613 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.455 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.45 -165.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -116.42 -47.63 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.452 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 26.2 p -123.86 -11.09 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 36.16 66.4 0.44 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -83.12 146.9 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.56 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.66 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -91.26 155.17 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 73.2 m-85 -147.11 168.76 20.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.478 178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 61.0 m-85 -96.72 128.7 43.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -104.15 -160.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.19 -22.06 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ASN . 24.4 mtmm -98.43 21.1 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.591 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 44.57 18.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LYS . 48.8 m-20 -92.09 150.04 21.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.605 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 4.9 mt -82.77 121.68 27.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -121.84 121.5 37.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.3 m -60.7 112.51 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 mt -102.01 117.41 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.7 m -76.27 119.41 20.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -112.04 115.06 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 -178.097 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.686 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -106.01 62.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.533 177.589 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.686 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.8 m -172.51 -167.54 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.537 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -100.5 75.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.565 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.694 0.283 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -74.86 116.99 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.601 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -125.2 137.14 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.543 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -110.65 130.27 64.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.593 -178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.674 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 9.4 p90 -139.6 113.95 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.528 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.593 ' O ' ' N ' ' A' ' 11' ' ' TYR . 85.4 mt-10 -68.66 -86.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.754 -175.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 79.2 m-20 61.63 -57.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.345 -175.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.819 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.2 p90 -121.44 105.06 39.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.371 174.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.567 ' C ' ' H ' ' A' ' 14' ' ' SER . 51.5 Cg_exo -48.28 -177.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.063 2.509 . . . . 0.0 112.471 -176.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -48.93 -10.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -178.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.567 ' H ' ' C ' ' A' ' 12' ' ' PRO . 11.9 t -40.8 -51.53 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.608 ' C ' ' H ' ' A' ' 17' ' ' GLN . 55.6 mttm -83.55 -37.57 22.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.4 t -51.59 -4.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -177.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' A' ' 15' ' ' LYS . 77.3 mm-40 -55.92 -23.16 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.419 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' A' ' 20' ' ' ASN . 8.7 mt -124.2 112.14 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.455 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.64 -12.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.509 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.497 ' H ' ' C ' ' A' ' 18' ' ' LEU . 56.6 m-20 -86.95 -27.0 23.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.6 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.5 tm0? -67.95 -47.28 69.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 55.6 m -50.37 -61.19 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.581 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.45 -49.4 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.42 -59.98 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' ASP . 73.9 m-20 -62.76 -43.58 98.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.98 -34.84 76.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.644 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.8 mtpt -80.01 -35.82 36.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.2 -24.72 29.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' ASP . 49.4 m-20 -89.97 -61.39 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -176.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 59.5 mmtt -111.9 -6.38 14.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.54 -176.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.532 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 20.0 m-70 70.1 61.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.64 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.454 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -89.26 -166.97 1.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -117.26 -44.24 2.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.573 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 10.4 p -122.77 -14.61 7.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.684 -177.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.93 66.23 0.43 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.99 147.19 26.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.585 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -91.46 154.97 18.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 90.6 m-85 -147.56 163.25 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 178.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 68.0 m-85 -90.08 128.53 36.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.1 -153.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.623 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.09 -20.55 61.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.564 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.6 mtmm -100.62 21.67 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.06 17.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' LYS . 50.4 m-20 -92.36 150.29 20.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.582 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.405 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 5.4 mt -83.39 118.41 23.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -117.16 121.27 40.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 41.1 m -60.11 112.76 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mt -103.5 118.94 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.631 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 95.5 m -77.03 122.0 24.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.597 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -116.58 115.22 25.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 -178.166 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.674 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -108.64 61.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 177.279 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 11.6 m -170.57 -167.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.1 mt-10 -100.72 72.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.638 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 23.2 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.231 0.089 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -85.36 115.79 23.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 110.575 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -123.7 137.79 54.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.585 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.7 p -110.55 127.02 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.603 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.673 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 9.8 p90 -137.57 113.85 10.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 11' ' ' TYR . 78.6 mt-10 -68.63 -84.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 -175.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 92.4 m-20 60.85 -57.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.307 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.821 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.6 p90 -121.49 104.83 39.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.338 174.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.575 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.0 Cg_exo -48.12 -177.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.012 2.474 . . . . 0.0 112.4 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -49.02 -10.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.594 -178.221 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.575 ' H ' ' C ' ' A' ' 12' ' ' PRO . 18.6 m -40.93 -50.82 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.536 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.613 ' C ' ' H ' ' A' ' 17' ' ' GLN . 24.6 mttp -83.99 -37.92 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.467 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.5 t -51.55 -4.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.543 -177.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.613 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.1 mm-40 -56.03 -23.37 32.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 20' ' ' ASN . 8.1 mt -124.25 112.31 16.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.559 177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.63 -13.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.528 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 18' ' ' LEU . 54.2 m-20 -86.49 -25.1 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.4 tm0? -70.28 -48.38 57.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 -178.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.0 m -49.73 -60.61 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.508 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.58 -49.62 13.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.567 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.86 -59.18 4.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.585 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.442 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 74.8 m-20 -63.11 -43.68 97.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -63.05 -31.99 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.587 -179.671 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.0 mttm -81.85 -36.84 27.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.95 -24.47 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.552 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.454 ' OD2' ' OH ' ' A' ' 8' ' ' TYR . 44.8 m-20 -89.35 -60.9 1.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 62.0 mmtt -114.88 -2.32 12.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.502 -176.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.527 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.0 m-70 66.12 64.39 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.474 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -90.7 -164.82 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -115.93 -48.12 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.596 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 25.8 m -124.17 -10.32 7.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.532 -177.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 36.14 67.39 0.37 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -84.27 145.75 28.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.626 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.7 155.43 18.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 78.1 m-85 -147.48 169.66 19.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.4 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 71.1 m-85 -97.13 123.96 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.544 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -102.3 -157.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -66.15 -23.48 66.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.591 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.621 ' NZ ' ' ND2' ' A' ' 44' ' ' ASN . 7.6 mtpm? -96.68 19.57 12.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 43.1 22.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.621 ' ND2' ' NZ ' ' A' ' 42' ' ' LYS . 57.1 m-20 -96.94 151.83 19.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.539 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 HD23 ' CZ ' ' A' ' 39' ' ' TYR . 4.6 mt -81.95 112.5 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.595 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -112.71 121.25 44.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.528 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 36.1 m -59.95 112.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.612 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.5 mt -102.39 119.2 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.602 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.645 ' CB ' ' HH ' ' A' ' 51' ' ' TYR . 94.2 m -77.37 122.08 24.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.491 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.6 110.72 20.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.639 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.719 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -101.18 61.32 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 178.037 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.719 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 12.8 m -172.39 -167.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.0 mt-10 -107.11 73.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' GLU . 36.9 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 121.1 0.476 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -76.65 116.6 17.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.531 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -124.36 137.22 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -108.63 128.16 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.663 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.687 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 4.8 p90 -138.38 115.16 10.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.497 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.613 ' O ' ' N ' ' A' ' 11' ' ' TYR . 73.3 mt-10 -69.6 -81.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.709 -176.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 91.8 m-20 60.49 -59.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.331 -175.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.728 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 37.4 p90 -121.65 106.61 37.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.399 173.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.579 ' C ' ' H ' ' A' ' 14' ' ' SER . 71.2 Cg_exo -46.15 -176.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.093 2.529 . . . . 0.0 112.373 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -47.94 -10.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 -177.426 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.579 ' H ' ' C ' ' A' ' 12' ' ' PRO . 23.2 m -41.68 -49.45 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.468 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 17' ' ' GLN . 65.2 mmtt -80.99 -39.91 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.464 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.4 t -51.46 -7.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 15' ' ' LYS . 72.5 mt-30 -59.64 -19.8 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.45 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 20' ' ' ASN . 10.1 mt -128.1 110.76 12.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.477 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.21 -13.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.434 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 18' ' ' LEU . 52.4 m-20 -86.92 -17.35 33.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.556 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -78.53 -50.71 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.568 -178.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 63.1 m -48.07 -62.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.516 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.52 -50.76 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.626 -179.647 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -51.94 -61.13 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.642 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 29' ' ' ASP . 90.0 m-20 -63.02 -43.38 98.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.06 -36.81 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.686 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 6.3 mtpm? -79.8 -35.89 37.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.02 -24.12 32.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.554 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 25' ' ' ASP . 69.5 m-20 -91.75 -62.29 1.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.507 -176.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -111.1 -2.14 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.4 m-70 66.09 59.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.458 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -86.86 -164.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -115.48 -51.37 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.517 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 43.0 t -123.92 -8.11 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.599 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.91 67.56 0.34 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -83.82 145.48 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -88.72 156.36 19.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.644 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 74.9 m-85 -147.45 169.18 20.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.499 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.466 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 58.8 m-85 -99.75 126.93 45.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -103.24 -162.66 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.78 -26.86 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.633 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -95.38 18.67 12.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 45.98 23.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.607 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -92.11 146.07 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.556 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.515 ' H ' HG12 ' A' ' 13' ' ' VAL . 2.4 mt -81.97 111.75 18.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -114.28 121.83 44.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.532 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.2 m -60.76 111.49 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.8 mt -100.69 118.07 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.4 m -77.2 119.18 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.538 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -111.74 116.84 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -178.222 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.697 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -107.52 62.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 177.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.697 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -172.43 -167.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -104.41 73.71 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.535 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 179.558 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.7 m . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 120.918 0.389 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -84.52 115.84 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -124.42 139.49 53.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -112.85 128.92 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.627 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.666 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 11.7 p90 -139.02 114.14 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.453 177.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.606 ' O ' ' N ' ' A' ' 11' ' ' TYR . 83.2 mt-10 -67.73 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.703 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 86.1 m-20 61.01 -58.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.36 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.824 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.3 p90 -121.54 105.51 38.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 174.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.56 ' C ' ' H ' ' A' ' 14' ' ' SER . 50.8 Cg_exo -48.5 -177.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.086 2.524 . . . . 0.0 112.375 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.2 p -49.6 -9.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.608 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.56 ' H ' ' C ' ' A' ' 12' ' ' PRO . 85.4 p -41.3 -50.61 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.585 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 17' ' ' GLN . 56.8 mttp -83.29 -39.06 21.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.6 t -51.31 -4.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.6 ' H ' ' C ' ' A' ' 15' ' ' LYS . 79.2 mm-40 -55.94 -23.19 30.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.497 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 20' ' ' ASN . 8.5 mt -124.32 115.63 21.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.494 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.84 -13.55 0.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 18' ' ' LEU . 53.4 m-20 -87.56 -16.85 33.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.9 tm0? -78.39 -50.78 11.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.548 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 52.6 m -48.95 -60.17 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.51 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.64 -49.92 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -54.08 -58.37 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.576 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 73.5 m-20 -63.51 -44.57 93.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.656 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -62.35 -32.33 73.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.569 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.8 mttm -81.25 -37.76 28.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -83.49 -24.7 31.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.452 ' OD2' ' OH ' ' A' ' 8' ' ' TYR . 38.6 m-20 -88.63 -60.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 -176.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -115.23 -2.53 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.494 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.526 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 17.9 m-70 65.65 65.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.699 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -90.55 -161.5 0.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -115.53 -51.67 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 36.6 t -125.13 -6.43 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -178.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 36.36 67.45 0.38 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -83.43 146.07 28.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.577 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -92.8 154.12 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 92.5 m-85 -148.82 147.79 29.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.568 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.63 125.5 28.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.52 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -104.14 -162.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.64 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.51 -24.66 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.567 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 44' ' ' ASN . 51.8 mtpt -91.05 18.71 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.593 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 46.27 18.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 42' ' ' LYS . 60.5 m-20 -102.48 152.05 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' H ' ' HB ' ' A' ' 13' ' ' VAL . 16.3 mt -80.82 122.97 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.596 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -119.28 120.21 36.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.569 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 36.9 m -59.79 111.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mt -101.45 118.97 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 89.8 m -77.71 120.21 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.536 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -113.01 110.54 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.638 -178.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.735 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -100.36 61.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.521 177.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.735 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 13.6 m -173.18 -167.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.52 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -108.5 73.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.528 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.589 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 CA--C 1.521 -0.157 0 CA-C-O 121.145 0.498 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt -74.03 116.36 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.605 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -123.1 140.14 53.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -112.82 130.25 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.1 p90 -140.9 114.02 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.605 ' O ' ' N ' ' A' ' 11' ' ' TYR . 81.2 mt-10 -68.26 -84.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 -176.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 83.3 m-20 61.01 -57.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.342 -175.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.826 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.2 p90 -121.15 105.41 39.85 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.385 174.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.9 Cg_exo -47.84 -176.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.984 2.456 . . . . 0.0 112.453 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.34 -9.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.508 -177.46 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.561 ' H ' ' C ' ' A' ' 12' ' ' PRO . 16.4 t -40.73 -49.2 3.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.543 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.608 ' C ' ' H ' ' A' ' 17' ' ' GLN . 59.3 mttm -83.28 -36.73 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.427 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.6 t -51.11 -5.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.5 mm-40 -57.19 -23.29 46.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 20' ' ' ASN . 9.2 mt -126.32 115.57 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.469 178.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -13.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 18' ' ' LEU . 49.5 m-20 -87.54 -15.55 37.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.41 -50.08 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.495 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.646 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 55.6 m -49.28 -60.26 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.587 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.528 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.61 -50.04 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.594 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.24 -60.37 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 29' ' ' ASP . 75.9 m-20 -62.3 -44.0 97.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -61.89 -35.01 77.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.663 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.3 mtpp -80.06 -35.6 36.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -84.13 -24.69 30.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 25' ' ' ASP . 53.1 m-20 -90.22 -61.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.425 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.3 mmtt -112.47 -2.33 14.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.531 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.532 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.5 m-70 66.09 61.84 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.611 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.463 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.52 -164.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.563 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -115.04 -49.31 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 21.7 t -123.78 -10.54 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.618 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.88 68.44 0.29 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -86.83 143.79 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.584 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.646 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -83.59 155.6 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 69.0 m-85 -146.65 168.97 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 66.4 m-85 -98.31 126.1 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -103.7 -159.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.83 -20.87 66.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' C ' ' N ' ' A' ' 44' ' ' ASN . 25.2 mtpp -99.7 19.54 15.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 45.46 21.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.56 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 42' ' ' LYS . 40.1 m-20 -93.57 148.53 22.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.539 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.55 ' H ' HG12 ' A' ' 13' ' ' VAL . 3.2 mt -82.05 109.78 16.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -111.08 122.85 48.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.501 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 38.5 m -60.67 111.89 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.3 mt -102.46 119.39 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.509 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 96.8 m -77.78 120.93 23.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.64 112.27 22.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.688 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -104.94 61.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.594 176.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.688 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -171.82 -167.61 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -99.92 75.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 p90 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.596 179.676 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.943 0.401 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -80.82 116.17 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.515 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -125.51 140.33 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.8 p -113.94 129.78 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.572 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.669 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.9 p90 -138.05 115.35 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.628 ' O ' ' N ' ' A' ' 11' ' ' TYR . 78.0 mt-10 -66.65 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.711 -176.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 94.2 m-20 59.82 -59.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.338 -175.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.76 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 32.1 p90 -121.91 108.29 34.86 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.401 173.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.572 ' C ' ' H ' ' A' ' 14' ' ' SER . 71.1 Cg_exo -46.14 -176.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.025 2.483 . . . . 0.0 112.437 -177.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.3 p -48.81 -10.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.54 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.572 ' H ' ' C ' ' A' ' 12' ' ' PRO . 18.2 t -42.34 -43.26 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.624 ' C ' ' H ' ' A' ' 17' ' ' GLN . 19.2 mmtp -84.15 -42.5 15.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.439 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.2 m -50.21 -5.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 -177.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.624 ' H ' ' C ' ' A' ' 15' ' ' LYS . 82.9 mm-40 -57.63 -27.14 62.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.471 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 20' ' ' ASN . 8.4 mt -125.94 112.31 15.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.548 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.99 -12.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.471 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.51 ' H ' ' C ' ' A' ' 18' ' ' LEU . 36.0 m-20 -86.82 -29.87 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.614 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' OE1' ' C ' ' A' ' 21' ' ' GLN . 2.1 tm0? -64.85 -50.09 67.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.542 -178.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 68.5 m -49.34 -62.35 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 -178.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.522 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -44.22 -50.13 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.666 -179.469 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.31 -60.45 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.653 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ASP . 95.2 m-20 -64.51 -44.3 91.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.642 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.84 -32.97 72.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.627 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.6 mttm -81.74 -38.24 26.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -82.38 -23.83 34.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' ASP . 62.7 m-20 -90.71 -61.25 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HB2' ' HH ' ' A' ' 51' ' ' TYR . 58.0 mmtt -112.92 -4.44 13.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.7 m-70 67.96 62.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.658 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.466 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -89.02 -165.92 1.47 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -116.76 -47.1 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 32.9 t -122.89 -12.21 8.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.626 -177.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 22' ' ' CYS . . . 35.95 67.84 0.33 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -92.15 147.65 22.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.621 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 18.4 m -93.23 152.97 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.58 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -148.61 143.09 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -64.73 125.33 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -104.01 -160.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.631 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.39 -22.09 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' A' ' 44' ' ' ASN . 24.5 mtmm -97.49 21.06 10.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 44.05 21.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' C ' ' A' ' 42' ' ' LYS . 56.4 m-20 -100.9 150.51 22.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.36 107.69 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.605 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -108.42 121.53 45.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.54 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 57.4 m -58.23 112.78 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.539 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.7 mt -101.09 117.22 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.645 ' CB ' ' HH ' ' A' ' 51' ' ' TYR . 91.8 m -77.28 115.15 16.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -108.42 115.87 30.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.504 -178.246 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.714 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -105.1 62.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.51 177.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.2 m -172.96 -167.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -108.56 73.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.545 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.512 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.361 0.6 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -67.48 117.33 9.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.593 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -123.74 137.57 54.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -114.37 131.33 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.657 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 13.3 p90 -143.02 114.6 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 177.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 11' ' ' TYR . 87.5 mt-10 -67.12 -86.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.711 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 86.9 m-20 61.9 -58.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.357 -175.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.814 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.2 p90 -121.81 104.69 38.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.388 174.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.571 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.2 Cg_exo -49.21 -174.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.042 2.495 . . . . 0.0 112.38 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -49.66 -9.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.512 -177.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.571 ' H ' ' C ' ' A' ' 12' ' ' PRO . 15.4 t -40.69 -52.54 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 17' ' ' GLN . 60.7 mttm -82.2 -37.04 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.472 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 45' ' ' LEU . 49.3 t -48.35 -10.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -177.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.562 ' H ' ' C ' ' A' ' 15' ' ' LYS . 43.6 mt-30 -59.21 -12.03 4.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.478 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' ASN . 10.7 mt -134.44 109.02 8.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.06 -14.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 18' ' ' LEU . 48.8 m-20 -86.54 -16.65 36.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.4 tm0? -78.71 -47.52 16.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 51.3 m -49.82 -61.81 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.66 -49.35 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -52.95 -60.19 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ASP . 60.0 m-20 -63.52 -43.41 97.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.659 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -62.58 -32.69 73.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 49.6 mtpt -81.42 -36.28 29.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.498 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.96 -24.51 30.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ASP . 43.2 m-20 -89.9 -61.45 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 56.9 mmtt -112.67 -3.35 14.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.509 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.55 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.8 m-70 67.52 60.38 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.68 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.442 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.22 -170.08 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.543 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -118.18 -37.52 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.617 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.449 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 6.9 p -123.73 -19.82 5.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -177.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.7 67.88 0.31 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -91.75 147.06 23.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.582 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -85.08 157.48 20.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.578 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 72.2 m-85 -147.21 171.87 14.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 67.1 m-85 -103.28 121.24 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 81.5 m-20 -98.65 -160.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.49 -25.69 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.515 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -95.34 18.81 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.6 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 43.75 26.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -94.67 151.16 19.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' H ' HG12 ' A' ' 13' ' ' VAL . 2.1 mt -85.76 109.48 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' OE1' ' OD2' ' A' ' 40' ' ' ASP . 3.4 mt-30 -118.37 125.37 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.52 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 30.8 m -61.02 117.9 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.685 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.7 mt -108.22 115.5 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.56 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 86.6 m -72.37 121.57 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.55 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -118.82 112.74 20.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -178.249 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.82 64.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 177.177 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.0 m -171.03 -168.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.587 -178.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -102.71 76.33 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.0 p90 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.581 179.643 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.846 0.355 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -58.85 -34.19 71.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.635 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m -64.34 -27.44 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.112 0.482 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -82.21 115.92 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.577 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -123.65 138.84 54.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -112.43 129.64 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.615 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.672 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.3 p90 -140.19 113.85 8.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.486 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 11' ' ' TYR . 81.0 mt-10 -68.3 -85.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.715 -176.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 73.7 m-20 61.39 -57.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.303 -175.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.83 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.9 p90 -121.31 105.21 39.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.361 174.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.562 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.7 Cg_exo -47.97 -176.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.032 2.488 . . . . 0.0 112.382 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.14 -9.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.612 -177.553 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.562 ' H ' ' C ' ' A' ' 12' ' ' PRO . 31.5 m -40.68 -48.58 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.3 mttm -84.05 -36.03 23.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.2 t -51.47 -5.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.58 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.609 ' H ' ' C ' ' A' ' 15' ' ' LYS . 79.0 mm-40 -57.08 -23.36 46.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.519 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.9 mt -126.26 116.03 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.478 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.07 -13.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.505 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 18' ' ' LEU . 46.7 m-20 -87.63 -15.1 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.34 -49.78 12.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 54.3 m -49.44 -60.43 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.522 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.56 -49.92 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.602 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.33 -60.09 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.584 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 29' ' ' ASP . 76.9 m-20 -62.66 -43.81 97.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.591 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -62.1 -34.02 75.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 49.2 mtpt -80.87 -35.72 32.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.13 -24.39 30.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ASP . 39.8 m-20 -90.17 -61.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 -176.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.2 mmtt -112.67 -2.52 14.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.54 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.8 m-70 66.8 61.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.98 -166.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.565 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -116.4 -45.31 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.581 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 28.0 m -123.35 -14.55 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.653 -177.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.69 68.27 0.29 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -88.59 145.21 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.57 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -83.79 155.72 22.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 70.4 m-85 -147.17 169.91 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 79.5 m-85 -99.79 123.89 44.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.567 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -103.03 -158.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.5 -24.43 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 44' ' ' ASN . 26.1 mtmm -96.79 18.61 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 43.82 24.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 42' ' ' LYS . 44.8 m-20 -96.15 149.9 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.536 ' H ' HG12 ' A' ' 13' ' ' VAL . 3.2 mt -80.88 108.34 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -110.96 122.94 49.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.548 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.508 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 40.1 m -60.51 111.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.525 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mt -101.75 119.33 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 99.6 m -78.2 118.38 20.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -111.46 114.32 27.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.604 -178.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.696 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -105.01 62.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.514 177.657 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.696 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.0 m -172.49 -167.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.523 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -105.16 75.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.607 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.1 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.558 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.812 0.339 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -58.66 -36.76 74.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.646 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.15 -27.9 69.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.148 0.499 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -80.15 116.24 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.55 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -123.26 138.19 54.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.0 p -111.98 128.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.701 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.667 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 11.0 p90 -138.74 114.13 9.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.529 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 11' ' ' TYR . 85.8 mt-10 -68.37 -85.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.714 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 81.9 m-20 61.22 -58.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.332 -175.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.827 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.2 p90 -121.45 105.23 39.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.363 174.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.559 ' C ' ' H ' ' A' ' 14' ' ' SER . 51.3 Cg_exo -48.4 -177.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 123.087 2.525 . . . . 0.0 112.357 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -48.86 -10.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.598 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.559 ' H ' ' C ' ' A' ' 12' ' ' PRO . 21.4 t -40.81 -51.21 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.604 ' C ' ' H ' ' A' ' 17' ' ' GLN . 51.0 mttm -83.28 -37.92 22.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.469 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.4 t -51.54 -4.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.604 ' H ' ' C ' ' A' ' 15' ' ' LYS . 77.7 mm-40 -56.52 -22.7 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.473 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt -124.79 116.78 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.551 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.92 -14.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.559 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -87.26 -16.19 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.63 -50.31 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.512 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 54.6 m -49.47 -60.78 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.44 -49.78 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.42 -59.78 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.638 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ASP . 76.1 m-20 -62.96 -44.46 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -61.68 -34.18 75.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.634 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.7 mtpt -80.85 -35.95 32.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.25 -24.66 29.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.498 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' ASP . 54.0 m-20 -89.67 -61.62 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 -176.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.0 mmtt -113.19 -2.65 14.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 -176.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.532 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.6 m-70 66.51 62.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.665 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -89.77 -163.82 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -115.47 -50.63 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.457 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 9.4 t -123.5 -8.43 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.633 -177.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.85 67.48 0.34 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -83.35 145.0 29.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 0.0 110.59 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.05 155.23 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 88.1 m-85 -147.32 167.96 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.403 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 74.8 m-85 -95.49 125.42 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.473 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' HB3' ' H ' ' A' ' 41' ' ' GLU . 66.5 m-20 -103.62 -159.44 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' H ' ' HB3' ' A' ' 40' ' ' ASP . 97.1 mt-10 -64.33 -22.02 66.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 44' ' ' ASN . 25.9 mtmm -99.07 20.3 13.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.505 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 42.58 23.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.553 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 42' ' ' LYS . 54.1 m-20 -96.75 151.14 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.503 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 4.9 mt -82.59 112.0 19.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -112.39 121.49 45.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.518 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 37.7 m -60.0 111.59 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.595 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 mt -102.44 118.71 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 97.0 m -77.09 120.91 22.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.55 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -113.84 111.49 21.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.711 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -102.41 61.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.553 177.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.711 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 11.1 m -172.56 -167.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -105.07 73.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.604 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.605 179.525 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -79.85 -5.28 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.0 m -64.03 -29.15 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.137 0.494 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -78.32 116.57 18.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.551 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -124.53 136.29 53.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -108.01 127.19 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.625 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.689 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 5.3 p90 -136.87 114.82 11.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.6 ' O ' ' N ' ' A' ' 11' ' ' TYR . 77.8 mt-10 -69.48 -83.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.707 -176.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 84.9 m-20 60.84 -59.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.387 -175.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 38.3 p90 -121.99 106.68 36.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.31 173.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.59 ' C ' ' H ' ' A' ' 14' ' ' SER . 56.0 Cg_exo -47.23 -176.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.04 2.493 . . . . 0.0 112.364 -177.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -46.92 -11.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 -178.066 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.59 ' H ' ' C ' ' A' ' 12' ' ' PRO . 23.0 t -41.84 -49.19 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.527 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.619 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.9 mmtt -81.96 -40.79 21.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.487 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 54.1 t -52.11 -4.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.619 ' H ' ' C ' ' A' ' 15' ' ' LYS . 82.0 mm-40 -56.27 -25.87 49.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.9 mt -123.94 111.58 16.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.534 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.16 -12.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.47 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.521 ' H ' ' C ' ' A' ' 18' ' ' LEU . 47.8 m-20 -86.73 -30.95 21.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' LEU . 2.1 tm0? -64.24 -48.41 75.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.562 -178.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 58.2 m -49.25 -62.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.549 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.505 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.96 -50.34 14.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -52.78 -60.62 3.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' ASP . 93.2 m-20 -62.87 -44.17 96.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.591 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.13 -34.7 75.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.82 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.0 mtpt -81.43 -35.75 30.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.501 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -83.42 -24.31 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.459 ' OD2' ' OH ' ' A' ' 8' ' ' TYR . 72.8 m-20 -91.55 -62.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -110.53 -2.83 16.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.467 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.542 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.2 m-70 66.42 59.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.12 -163.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -115.79 -51.73 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 16.0 m -123.64 -7.14 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -177.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.72 66.79 0.37 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -81.34 147.4 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.61 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -94.3 154.78 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 84.6 m-85 -148.08 170.2 18.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.434 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 72.0 m-85 -97.16 127.71 43.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -103.5 -158.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.638 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -67.3 -20.1 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ASN . 42.8 mtmt -99.92 20.89 13.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 43.2 20.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.521 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' LYS . 53.6 m-20 -94.56 151.33 19.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.55 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.434 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 4.8 mt -82.52 120.32 25.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -120.92 121.21 37.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.528 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.1 m -60.42 112.09 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.581 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mt -101.22 117.56 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 90.4 m -76.06 119.33 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -112.03 115.11 28.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -178.247 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.704 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -105.54 62.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.588 177.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.704 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.2 m -172.76 -167.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.533 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -106.6 74.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 179.659 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.836 0.35 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.15 -16.66 60.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.632 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.2 m -62.39 -38.4 89.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.283 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -70.43 116.69 11.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -123.6 138.33 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.536 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 p -113.37 129.32 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.671 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.8 p90 -140.05 113.88 8.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.452 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.602 ' O ' ' N ' ' A' ' 11' ' ' TYR . 84.7 mt-10 -68.34 -85.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.749 -176.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 78.5 m-20 61.38 -57.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.333 -175.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.826 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.1 p90 -121.38 105.04 39.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.299 174.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.571 ' C ' ' H ' ' A' ' 14' ' ' SER . 50.7 Cg_exo -48.4 -177.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.086 2.524 . . . . 0.0 112.418 -177.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -48.64 -10.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.597 -178.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.571 ' H ' ' C ' ' A' ' 12' ' ' PRO . 29.7 t -40.76 -51.34 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.535 -177.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.607 ' C ' ' H ' ' A' ' 17' ' ' GLN . 86.2 mttt -83.26 -38.06 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 42.2 t -51.48 -4.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.627 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.607 ' H ' ' C ' ' A' ' 15' ' ' LYS . 78.3 mm-40 -56.35 -23.62 38.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.447 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.9 mt -124.29 115.16 20.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.48 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.74 -13.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 18' ' ' LEU . 50.7 m-20 -87.33 -17.36 32.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.0 tm0? -78.04 -49.45 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.0 m -49.61 -60.77 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.48 -49.52 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.57 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -53.79 -60.22 3.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 29' ' ' ASP . 70.5 m-20 -62.22 -42.87 99.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.635 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -63.21 -34.68 78.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.2 mtpp -79.96 -34.94 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.531 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.44 -24.8 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 25' ' ' ASP . 52.5 m-20 -90.27 -61.97 1.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 59.6 mmtt -111.61 -3.26 15.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 19.1 m-70 67.06 60.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.99 -165.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -116.78 -47.19 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 29.7 m -123.39 -11.63 7.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.694 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.66 67.18 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -83.66 145.48 28.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.564 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.26 155.19 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -147.59 166.92 25.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.411 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 77.0 m-85 -94.42 124.81 38.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -103.42 -158.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.65 -22.97 67.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.626 ' NZ ' ' ND2' ' A' ' 44' ' ' ASN . 8.0 mtpm? -98.05 19.71 13.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 42.84 23.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.626 ' ND2' ' NZ ' ' A' ' 42' ' ' LYS . 54.5 m-20 -96.83 151.64 19.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 4.5 mt -82.69 111.54 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -112.13 121.48 45.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.51 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.513 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 35.5 m -60.09 111.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 mt -102.76 117.53 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 93.4 m -75.47 119.43 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -116.06 113.95 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 -178.057 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.675 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -107.73 62.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.546 177.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.675 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -171.0 -167.44 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -96.88 75.67 2.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.2 p90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 179.642 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -58.1 -38.2 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.7 m -63.95 -34.38 77.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.258 0.551 . . . . 0.0 110.748 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -72.94 116.73 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.523 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -125.71 139.81 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -111.79 130.29 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.674 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 8.9 p90 -140.02 113.98 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.489 177.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.591 ' O ' ' N ' ' A' ' 11' ' ' TYR . 80.8 mt-10 -68.81 -85.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 67.2 m-20 61.77 -57.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.339 -175.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.825 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.3 p90 -121.28 105.24 39.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.356 174.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.4 Cg_exo -47.82 -176.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.035 2.49 . . . . 0.0 112.413 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.53 HG13 ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.35 -9.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.544 -177.473 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.56 ' H ' ' C ' ' A' ' 12' ' ' PRO . 20.6 m -40.82 -48.12 3.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 -177.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.61 ' C ' ' H ' ' A' ' 17' ' ' GLN . 82.8 mttt -84.45 -36.1 22.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.457 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.0 t -51.42 -5.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.61 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.1 mm-40 -56.98 -23.77 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.519 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.9 mt -125.88 116.24 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.09 -14.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.481 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 18' ' ' LEU . 46.7 m-20 -87.66 -14.72 39.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.7 tm0? -78.58 -50.03 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.579 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.7 m -49.49 -60.46 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.519 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.63 -49.9 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.3 -60.2 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' ASP . 79.4 m-20 -62.41 -43.58 98.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -62.23 -34.33 76.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.582 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 19.9 mtpp -80.97 -35.34 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.514 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.37 -24.89 29.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ASP . 49.5 m-20 -90.1 -61.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.487 -176.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 61.0 mmtt -111.22 -6.54 14.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 -176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 19.2 m-70 69.65 60.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.635 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.13 -164.86 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.58 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -116.06 -47.88 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.504 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.466 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.7 p -122.65 -12.91 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.668 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.7 67.93 0.3 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -87.49 144.6 26.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.538 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -84.02 155.46 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.632 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 71.1 m-85 -147.19 169.36 19.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.584 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 80.0 m-85 -98.62 124.42 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -103.15 -159.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.0 -23.55 67.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.58 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -98.15 19.2 14.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 43.7 24.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -96.26 148.55 22.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.587 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.53 ' H ' HG13 ' A' ' 13' ' ' VAL . 3.5 mt -79.88 108.25 13.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.624 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -110.64 122.68 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.479 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.498 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 39.7 m -60.25 111.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.548 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 mt -101.52 118.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.598 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 91.1 m -77.01 121.3 23.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.552 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -116.06 113.14 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -178.298 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.666 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.46 62.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 177.162 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.0 m -170.56 -168.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -96.9 75.47 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.5 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 179.633 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.817 0.341 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -57.9 -34.35 69.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.1 m -63.82 -27.91 69.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -79.68 116.42 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.603 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -124.37 138.57 54.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 p -109.93 127.79 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.679 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.698 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 4.7 p90 -138.43 113.93 9.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.61 ' O ' ' N ' ' A' ' 11' ' ' TYR . 75.8 mt-10 -69.46 -81.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.735 -176.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 95.5 m-20 60.47 -58.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.318 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 34.9 p90 -121.73 106.97 36.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.36 173.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.598 ' C ' ' H ' ' A' ' 14' ' ' SER . 67.5 Cg_exo -46.11 -176.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 123.016 2.477 . . . . 0.0 112.424 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 HG13 ' H ' ' A' ' 45' ' ' LEU . 1.2 m -47.44 -10.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.576 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.598 ' H ' ' C ' ' A' ' 12' ' ' PRO . 17.8 m -41.53 -47.0 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.517 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 17' ' ' GLN . 19.2 mmtp -81.72 -38.03 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.87 -4.67 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.583 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 15' ' ' LYS . 81.4 mm-40 -57.8 -26.88 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.488 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -125.59 117.14 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.469 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.25 -14.14 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.469 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 18' ' ' LEU . 33.8 m-20 -88.35 -14.72 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -77.94 -51.54 10.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.4 m -48.51 -62.09 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.502 -178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.24 -50.49 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 -179.669 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -52.73 -61.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.625 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.486 ' HB2' ' HH ' ' A' ' 11' ' ' TYR . 90.1 m-20 -62.71 -43.17 99.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.629 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.556 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.84 -34.58 76.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.3 mtpp -81.79 -35.38 29.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -83.28 -24.73 32.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' ASP . 51.1 m-20 -92.04 -62.58 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.483 -176.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 57.6 mmtt -109.01 -3.56 17.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 -176.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.546 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.7 m-70 66.59 59.6 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.465 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -86.48 -164.84 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.543 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -116.12 -49.56 2.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 4.9 p -123.0 -10.94 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.618 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.54 67.5 0.32 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -86.29 146.12 26.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.5 m -86.84 155.24 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 74.2 m-85 -147.63 169.95 18.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 78.2 m-85 -98.74 124.47 43.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -103.4 -162.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.81 -25.43 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -95.71 18.32 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.637 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 43.83 25.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.58 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -96.98 150.49 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.512 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' H ' HG13 ' A' ' 13' ' ' VAL . 4.2 mt -81.4 109.25 15.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.6 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -111.5 122.7 48.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.5 m -60.22 110.07 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.0 mt -99.53 117.49 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.558 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 87.8 m -76.57 119.4 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.593 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -111.44 116.48 30.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.71 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -106.56 62.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 177.679 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.71 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.1 m -172.89 -167.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -105.42 73.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.613 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 179.685 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.878 0.37 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.25 -34.66 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m -64.24 -29.85 70.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.289 0.566 . . . . 0.0 110.718 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -79.02 116.71 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.582 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -123.29 140.41 53.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.95 127.97 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.761 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.754 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 3.1 p90 -140.97 110.33 6.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 11' ' ' TYR . 73.6 mt-10 -73.18 -81.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.704 -175.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 80.7 m-20 61.07 -57.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.281 -175.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.822 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 53.8 p90 -120.77 105.61 40.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.349 174.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.58 ' C ' ' H ' ' A' ' 14' ' ' SER . 53.3 Cg_exo -47.65 -176.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.017 2.478 . . . . 0.0 112.419 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.504 HG13 ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -49.32 -9.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.527 -177.605 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.58 ' H ' ' C ' ' A' ' 12' ' ' PRO . 46.6 m -40.69 -49.96 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.478 -177.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.606 ' C ' ' H ' ' A' ' 17' ' ' GLN . 59.2 mttp -83.57 -34.55 25.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' CB ' ' A' ' 45' ' ' LEU . 42.0 t -51.37 -5.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.567 -177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.606 ' H ' ' C ' ' A' ' 15' ' ' LYS . 78.2 mm-40 -57.13 -21.25 31.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -128.13 116.54 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.553 178.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.48 -15.15 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.488 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -87.91 -12.21 45.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.1 tm0? -78.75 -51.08 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 56.1 m -49.63 -60.93 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.78 -50.04 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -52.7 -61.2 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 29' ' ' ASP . 79.3 m-20 -62.64 -42.29 99.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -58.77 -40.6 84.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 19.7 mtpp -75.43 -36.92 60.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.56 -23.61 34.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.587 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 25' ' ' ASP . 66.4 m-20 -91.36 -61.18 1.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -114.15 -0.69 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 19.8 m-70 65.77 58.71 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -86.7 -168.62 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -117.36 -41.33 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 8.0 p -122.86 -19.66 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.626 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.17 68.23 0.26 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -92.66 147.56 22.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.549 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -83.65 155.26 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.641 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 84.6 m-85 -148.71 169.82 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 77.3 m-85 -98.6 124.09 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.518 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -103.38 -156.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.618 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.82 -24.55 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' A' ' 44' ' ' ASN . 49.6 mtpt -97.21 19.77 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 43.14 23.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.563 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 42' ' ' LYS . 42.7 m-20 -95.18 149.08 21.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.504 ' H ' HG13 ' A' ' 13' ' ' VAL . 3.3 mt -80.49 108.51 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -111.68 125.12 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.424 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 53.1 m -62.83 109.33 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.81 117.14 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.623 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.7 m -78.74 113.6 16.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -106.6 119.73 40.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.605 -178.239 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.68 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -109.86 62.41 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 177.246 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.0 m -171.98 -167.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 -178.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -104.8 75.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.7 p90 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.503 179.512 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.818 0.342 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -80.3 -52.91 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.613 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.4 m -64.54 -34.41 78.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.786 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -75.66 116.1 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.672 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -124.15 138.07 54.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -109.39 128.05 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.681 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 6.6 p90 -137.14 115.25 11.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.497 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.614 ' O ' ' N ' ' A' ' 11' ' ' TYR . 79.4 mt-10 -69.15 -82.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.724 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 95.6 m-20 60.27 -59.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.331 -175.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.774 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 40.3 p90 -122.11 106.87 35.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.355 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.587 ' C ' ' H ' ' A' ' 14' ' ' SER . 53.2 Cg_exo -47.56 -176.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.039 2.493 . . . . 0.0 112.397 -177.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -47.15 -11.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.54 -178.181 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.587 ' H ' ' C ' ' A' ' 12' ' ' PRO . 19.7 m -41.98 -48.75 4.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.639 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.62 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.4 mmtt -82.29 -40.52 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.463 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 53.8 t -51.82 -4.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.614 -177.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.62 ' H ' ' C ' ' A' ' 15' ' ' LYS . 81.0 mm-40 -56.61 -25.53 53.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.6 mt -124.45 115.63 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 178.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.07 -13.65 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.471 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 18' ' ' LEU . 41.8 m-20 -87.44 -17.05 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.601 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.401 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 1.8 tm0? -77.86 -49.99 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.66 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.6 m -48.75 -62.66 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.503 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.81 -50.18 14.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.616 -179.608 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -53.19 -60.7 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.603 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' ASP . 92.5 m-20 -63.02 -43.07 99.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.646 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.89 -34.45 74.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 71.8 mttt -80.29 -37.39 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.52 -23.96 34.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 25' ' ' ASP . 64.5 m-20 -90.77 -61.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 -176.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -113.09 -2.13 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.549 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.6 m-70 66.24 61.02 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.613 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.455 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.45 -165.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -116.42 -47.63 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.452 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 26.2 p -123.86 -11.09 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 36.16 66.4 0.44 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -83.12 146.9 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.56 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.66 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -91.26 155.17 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 73.2 m-85 -147.11 168.76 20.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.478 178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 61.0 m-85 -96.72 128.7 43.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -104.15 -160.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.19 -22.06 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ASN . 24.4 mtmm -98.43 21.1 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.591 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 44.57 18.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LYS . 48.8 m-20 -92.09 150.04 21.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.605 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 4.9 mt -82.77 121.68 27.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -121.84 121.5 37.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.3 m -60.7 112.51 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 mt -102.01 117.41 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.7 m -76.27 119.41 20.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -112.04 115.06 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 -178.097 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.686 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -106.01 62.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.533 177.589 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.686 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.8 m -172.51 -167.54 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.537 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -100.5 75.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.565 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.846 0.355 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -61.9 -17.77 57.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.624 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.4 -32.04 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.155 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -74.86 116.99 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.601 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -125.2 137.14 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.543 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -110.65 130.27 64.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.593 -178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.674 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 9.4 p90 -139.6 113.95 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.528 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.593 ' O ' ' N ' ' A' ' 11' ' ' TYR . 85.4 mt-10 -68.66 -86.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.754 -175.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 79.2 m-20 61.63 -57.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.345 -175.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.819 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.2 p90 -121.44 105.06 39.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.371 174.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' C ' ' H ' ' A' ' 14' ' ' SER . 51.5 Cg_exo -48.28 -177.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.063 2.509 . . . . 0.0 112.471 -176.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -48.93 -10.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -178.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.567 ' H ' ' C ' ' A' ' 12' ' ' PRO . 11.9 t -40.8 -51.53 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.608 ' C ' ' H ' ' A' ' 17' ' ' GLN . 55.6 mttm -83.55 -37.57 22.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.4 t -51.59 -4.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -177.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' A' ' 15' ' ' LYS . 77.3 mm-40 -55.92 -23.16 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.419 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' A' ' 20' ' ' ASN . 8.7 mt -124.2 112.14 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.455 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.64 -12.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.509 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.497 ' H ' ' C ' ' A' ' 18' ' ' LEU . 56.6 m-20 -86.95 -27.0 23.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.6 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.5 tm0? -67.95 -47.28 69.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 55.6 m -50.37 -61.19 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.581 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.45 -49.4 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.42 -59.98 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' ASP . 73.9 m-20 -62.76 -43.58 98.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.98 -34.84 76.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.644 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.8 mtpt -80.01 -35.82 36.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.2 -24.72 29.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' ASP . 49.4 m-20 -89.97 -61.39 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -176.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 59.5 mmtt -111.9 -6.38 14.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.54 -176.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.532 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 20.0 m-70 70.1 61.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.64 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.454 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -89.26 -166.97 1.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -117.26 -44.24 2.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.573 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 10.4 p -122.77 -14.61 7.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.684 -177.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.93 66.23 0.43 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.99 147.19 26.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.585 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -91.46 154.97 18.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 90.6 m-85 -147.56 163.25 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 178.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 68.0 m-85 -90.08 128.53 36.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.1 -153.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.623 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.09 -20.55 61.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.564 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.6 mtmm -100.62 21.67 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.06 17.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' LYS . 50.4 m-20 -92.36 150.29 20.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.582 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.405 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 5.4 mt -83.39 118.41 23.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -117.16 121.27 40.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 41.1 m -60.11 112.76 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mt -103.5 118.94 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.631 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 95.5 m -77.03 122.0 24.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.597 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -116.58 115.22 25.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 -178.166 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.674 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -108.64 61.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 177.279 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 11.6 m -170.57 -167.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.1 mt-10 -100.72 72.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.638 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 23.2 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.761 0.315 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -77.47 -46.63 21.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -62.8 -25.17 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -85.36 115.79 23.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 110.575 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -123.7 137.79 54.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.585 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.7 p -110.55 127.02 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.603 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.673 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 9.8 p90 -137.57 113.85 10.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 11' ' ' TYR . 78.6 mt-10 -68.63 -84.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 -175.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 92.4 m-20 60.85 -57.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.307 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.821 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.6 p90 -121.49 104.83 39.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.338 174.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.575 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.0 Cg_exo -48.12 -177.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.012 2.474 . . . . 0.0 112.4 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -49.02 -10.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.594 -178.221 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.575 ' H ' ' C ' ' A' ' 12' ' ' PRO . 18.6 m -40.93 -50.82 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.536 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.613 ' C ' ' H ' ' A' ' 17' ' ' GLN . 24.6 mttp -83.99 -37.92 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.467 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.5 t -51.55 -4.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.543 -177.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.613 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.1 mm-40 -56.03 -23.37 32.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 20' ' ' ASN . 8.1 mt -124.25 112.31 16.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.559 177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.63 -13.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.528 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 18' ' ' LEU . 54.2 m-20 -86.49 -25.1 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.4 tm0? -70.28 -48.38 57.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 -178.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.0 m -49.73 -60.61 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.508 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.58 -49.62 13.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.567 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.86 -59.18 4.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.585 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.442 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 74.8 m-20 -63.11 -43.68 97.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -63.05 -31.99 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.587 -179.671 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.0 mttm -81.85 -36.84 27.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.95 -24.47 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.552 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.454 ' OD2' ' OH ' ' A' ' 8' ' ' TYR . 44.8 m-20 -89.35 -60.9 1.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 62.0 mmtt -114.88 -2.32 12.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.502 -176.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.527 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.0 m-70 66.12 64.39 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.474 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -90.7 -164.82 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -115.93 -48.12 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.596 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 25.8 m -124.17 -10.32 7.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.532 -177.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 36.14 67.39 0.37 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -84.27 145.75 28.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.626 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.7 155.43 18.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 78.1 m-85 -147.48 169.66 19.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.4 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 71.1 m-85 -97.13 123.96 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.544 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -102.3 -157.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -66.15 -23.48 66.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.591 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.621 ' NZ ' ' ND2' ' A' ' 44' ' ' ASN . 7.6 mtpm? -96.68 19.57 12.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 43.1 22.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.621 ' ND2' ' NZ ' ' A' ' 42' ' ' LYS . 57.1 m-20 -96.94 151.83 19.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.539 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 HD23 ' CZ ' ' A' ' 39' ' ' TYR . 4.6 mt -81.95 112.5 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.595 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -112.71 121.25 44.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.528 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 36.1 m -59.95 112.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.612 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.5 mt -102.39 119.2 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.602 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.645 ' CB ' ' HH ' ' A' ' 51' ' ' TYR . 94.2 m -77.37 122.08 24.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.491 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.6 110.72 20.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.639 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.719 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -101.18 61.32 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 178.037 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.719 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 12.8 m -172.39 -167.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.0 mt-10 -107.11 73.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' GLU . 36.9 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.783 0.325 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -58.14 -37.27 74.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.618 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.2 m -63.96 -30.71 71.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.1 0.476 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -76.65 116.6 17.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.531 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -124.36 137.22 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -108.63 128.16 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.663 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.687 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 4.8 p90 -138.38 115.16 10.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.497 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.613 ' O ' ' N ' ' A' ' 11' ' ' TYR . 73.3 mt-10 -69.6 -81.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.709 -176.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 91.8 m-20 60.49 -59.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.331 -175.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.728 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 37.4 p90 -121.65 106.61 37.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.399 173.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.579 ' C ' ' H ' ' A' ' 14' ' ' SER . 71.2 Cg_exo -46.15 -176.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.093 2.529 . . . . 0.0 112.373 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -47.94 -10.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 -177.426 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.579 ' H ' ' C ' ' A' ' 12' ' ' PRO . 23.2 m -41.68 -49.45 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.468 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 17' ' ' GLN . 65.2 mmtt -80.99 -39.91 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.464 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.4 t -51.46 -7.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 15' ' ' LYS . 72.5 mt-30 -59.64 -19.8 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.45 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 20' ' ' ASN . 10.1 mt -128.1 110.76 12.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.477 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.21 -13.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.434 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 18' ' ' LEU . 52.4 m-20 -86.92 -17.35 33.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.556 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -78.53 -50.71 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.568 -178.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 63.1 m -48.07 -62.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.516 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.52 -50.76 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.626 -179.647 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -51.94 -61.13 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.642 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 29' ' ' ASP . 90.0 m-20 -63.02 -43.38 98.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.06 -36.81 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.686 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 6.3 mtpm? -79.8 -35.89 37.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.02 -24.12 32.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.554 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 25' ' ' ASP . 69.5 m-20 -91.75 -62.29 1.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.507 -176.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -111.1 -2.14 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.4 m-70 66.09 59.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -86.86 -164.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -115.48 -51.37 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.517 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 43.0 t -123.92 -8.11 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.599 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.91 67.56 0.34 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -83.82 145.48 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -88.72 156.36 19.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.644 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 74.9 m-85 -147.45 169.18 20.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.499 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.466 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 58.8 m-85 -99.75 126.93 45.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -103.24 -162.66 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.78 -26.86 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.633 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -95.38 18.67 12.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 45.98 23.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.607 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -92.11 146.07 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.556 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.515 ' H ' HG12 ' A' ' 13' ' ' VAL . 2.4 mt -81.97 111.75 18.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -114.28 121.83 44.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.532 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.2 m -60.76 111.49 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.8 mt -100.69 118.07 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.4 m -77.2 119.18 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.538 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -111.74 116.84 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -178.222 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.697 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -107.52 62.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 177.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.697 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -172.43 -167.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -104.41 73.71 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.535 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 179.558 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.835 0.35 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -58.15 -35.66 71.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.671 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.7 m -64.09 -24.64 67.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -84.52 115.84 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -124.42 139.49 53.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -112.85 128.92 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.627 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.666 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 11.7 p90 -139.02 114.14 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.453 177.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.606 ' O ' ' N ' ' A' ' 11' ' ' TYR . 83.2 mt-10 -67.73 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.703 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 86.1 m-20 61.01 -58.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.36 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.824 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.3 p90 -121.54 105.51 38.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 174.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' C ' ' H ' ' A' ' 14' ' ' SER . 50.8 Cg_exo -48.5 -177.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.086 2.524 . . . . 0.0 112.375 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.2 p -49.6 -9.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.608 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.56 ' H ' ' C ' ' A' ' 12' ' ' PRO . 85.4 p -41.3 -50.61 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.585 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 17' ' ' GLN . 56.8 mttp -83.29 -39.06 21.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.6 t -51.31 -4.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.6 ' H ' ' C ' ' A' ' 15' ' ' LYS . 79.2 mm-40 -55.94 -23.19 30.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.497 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 20' ' ' ASN . 8.5 mt -124.32 115.63 21.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.494 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.84 -13.55 0.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 18' ' ' LEU . 53.4 m-20 -87.56 -16.85 33.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.9 tm0? -78.39 -50.78 11.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.548 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 52.6 m -48.95 -60.17 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.51 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.64 -49.92 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -54.08 -58.37 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.576 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 73.5 m-20 -63.51 -44.57 93.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.656 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -62.35 -32.33 73.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.569 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.8 mttm -81.25 -37.76 28.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -83.49 -24.7 31.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' OD2' ' OH ' ' A' ' 8' ' ' TYR . 38.6 m-20 -88.63 -60.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 -176.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -115.23 -2.53 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.494 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.526 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 17.9 m-70 65.65 65.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.699 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -90.55 -161.5 0.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -115.53 -51.67 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 36.6 t -125.13 -6.43 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -178.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 36.36 67.45 0.38 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -83.43 146.07 28.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.577 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -92.8 154.12 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 92.5 m-85 -148.82 147.79 29.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.568 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.63 125.5 28.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.52 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -104.14 -162.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.64 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.51 -24.66 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.567 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 44' ' ' ASN . 51.8 mtpt -91.05 18.71 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.593 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 46.27 18.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 42' ' ' LYS . 60.5 m-20 -102.48 152.05 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' H ' ' HB ' ' A' ' 13' ' ' VAL . 16.3 mt -80.82 122.97 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.596 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -119.28 120.21 36.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.569 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 36.9 m -59.79 111.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mt -101.45 118.97 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 26' ' ' CYS . 89.8 m -77.71 120.21 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.536 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -113.01 110.54 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.638 -178.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.735 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -100.36 61.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.521 177.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.735 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 13.6 m -173.18 -167.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.52 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -108.5 73.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.528 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.589 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.839 0.352 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -73.96 -38.87 64.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.2 m -64.06 -36.22 83.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.145 0.498 . . . . 0.0 111.392 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt -74.03 116.36 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.605 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -123.1 140.14 53.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -112.82 130.25 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.1 p90 -140.9 114.02 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.605 ' O ' ' N ' ' A' ' 11' ' ' TYR . 81.2 mt-10 -68.26 -84.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 -176.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 83.3 m-20 61.01 -57.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.342 -175.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.826 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.2 p90 -121.15 105.41 39.85 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.385 174.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.9 Cg_exo -47.84 -176.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.984 2.456 . . . . 0.0 112.453 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.34 -9.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.508 -177.46 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.561 ' H ' ' C ' ' A' ' 12' ' ' PRO . 16.4 t -40.73 -49.2 3.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.543 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.608 ' C ' ' H ' ' A' ' 17' ' ' GLN . 59.3 mttm -83.28 -36.73 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.427 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.6 t -51.11 -5.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.5 mm-40 -57.19 -23.29 46.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 20' ' ' ASN . 9.2 mt -126.32 115.57 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.469 178.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -13.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 18' ' ' LEU . 49.5 m-20 -87.54 -15.55 37.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.41 -50.08 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.495 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.646 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 55.6 m -49.28 -60.26 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.587 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.528 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.61 -50.04 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.594 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.24 -60.37 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 29' ' ' ASP . 75.9 m-20 -62.3 -44.0 97.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -61.89 -35.01 77.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.663 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.3 mtpp -80.06 -35.6 36.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -84.13 -24.69 30.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 25' ' ' ASP . 53.1 m-20 -90.22 -61.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.425 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.3 mmtt -112.47 -2.33 14.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.531 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.532 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.5 m-70 66.09 61.84 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.611 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.463 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.52 -164.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.563 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -115.04 -49.31 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 21.7 t -123.78 -10.54 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.618 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.88 68.44 0.29 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -86.83 143.79 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.584 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -83.59 155.6 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 69.0 m-85 -146.65 168.97 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 66.4 m-85 -98.31 126.1 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -103.7 -159.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.83 -20.87 66.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' C ' ' N ' ' A' ' 44' ' ' ASN . 25.2 mtpp -99.7 19.54 15.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 45.46 21.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.56 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 42' ' ' LYS . 40.1 m-20 -93.57 148.53 22.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.539 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.55 ' H ' HG12 ' A' ' 13' ' ' VAL . 3.2 mt -82.05 109.78 16.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -111.08 122.85 48.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.501 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 38.5 m -60.67 111.89 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.3 mt -102.46 119.39 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.509 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 96.8 m -77.78 120.93 23.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.64 112.27 22.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.688 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -104.94 61.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.594 176.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.688 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -171.82 -167.61 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -99.92 75.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 p90 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.596 179.676 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.487 ' H1 ' ' CG ' ' A' ' 5' ' ' LYS . 86.2 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.789 0.328 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -58.08 -37.1 73.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.683 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.6 m -64.24 -27.37 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.225 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' CG ' ' H1 ' ' A' ' 2' ' ' ASP . 25.7 mmtp -80.82 116.17 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.515 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -125.51 140.33 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.8 p -113.94 129.78 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.572 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.669 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.9 p90 -138.05 115.35 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.628 ' O ' ' N ' ' A' ' 11' ' ' TYR . 78.0 mt-10 -66.65 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.711 -176.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 94.2 m-20 59.82 -59.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.338 -175.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.76 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 32.1 p90 -121.91 108.29 34.86 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.401 173.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.572 ' C ' ' H ' ' A' ' 14' ' ' SER . 71.1 Cg_exo -46.14 -176.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.025 2.483 . . . . 0.0 112.437 -177.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.3 p -48.81 -10.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.54 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.572 ' H ' ' C ' ' A' ' 12' ' ' PRO . 18.2 t -42.34 -43.26 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.624 ' C ' ' H ' ' A' ' 17' ' ' GLN . 19.2 mmtp -84.15 -42.5 15.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.439 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.2 m -50.21 -5.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 -177.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.624 ' H ' ' C ' ' A' ' 15' ' ' LYS . 82.9 mm-40 -57.63 -27.14 62.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.471 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 20' ' ' ASN . 8.4 mt -125.94 112.31 15.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.548 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.99 -12.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.471 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.51 ' H ' ' C ' ' A' ' 18' ' ' LEU . 36.0 m-20 -86.82 -29.87 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.614 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' OE1' ' C ' ' A' ' 21' ' ' GLN . 2.1 tm0? -64.85 -50.09 67.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.542 -178.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 68.5 m -49.34 -62.35 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 -178.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.522 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -44.22 -50.13 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.666 -179.469 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.31 -60.45 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.653 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ASP . 95.2 m-20 -64.51 -44.3 91.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.642 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.84 -32.97 72.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.627 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.6 mttm -81.74 -38.24 26.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -82.38 -23.83 34.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' ASP . 62.7 m-20 -90.71 -61.25 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HB2' ' HH ' ' A' ' 51' ' ' TYR . 58.0 mmtt -112.92 -4.44 13.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.7 m-70 67.96 62.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.658 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -89.02 -165.92 1.47 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -116.76 -47.1 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 32.9 t -122.89 -12.21 8.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.626 -177.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 22' ' ' CYS . . . 35.95 67.84 0.33 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -92.15 147.65 22.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.621 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 18.4 m -93.23 152.97 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.58 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -148.61 143.09 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -64.73 125.33 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -104.01 -160.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.631 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.39 -22.09 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' A' ' 44' ' ' ASN . 24.5 mtmm -97.49 21.06 10.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 44.05 21.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' C ' ' A' ' 42' ' ' LYS . 56.4 m-20 -100.9 150.51 22.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.36 107.69 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.605 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -108.42 121.53 45.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.54 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 57.4 m -58.23 112.78 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.539 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.7 mt -101.09 117.22 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.645 ' CB ' ' HH ' ' A' ' 51' ' ' TYR . 91.8 m -77.28 115.15 16.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -108.42 115.87 30.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.504 -178.246 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.714 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -105.1 62.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.51 177.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.2 m -172.96 -167.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -108.56 73.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.545 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.512 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.876 0.37 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -68.18 -53.49 24.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.8 m -85.37 -39.65 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.361 0.6 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -67.48 117.33 9.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.593 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -123.74 137.57 54.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -114.37 131.33 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.657 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 13.3 p90 -143.02 114.6 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 177.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 11' ' ' TYR . 87.5 mt-10 -67.12 -86.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.711 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 86.9 m-20 61.9 -58.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.357 -175.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.814 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.2 p90 -121.81 104.69 38.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.388 174.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.571 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.2 Cg_exo -49.21 -174.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.042 2.495 . . . . 0.0 112.38 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -49.66 -9.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.512 -177.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.571 ' H ' ' C ' ' A' ' 12' ' ' PRO . 15.4 t -40.69 -52.54 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 17' ' ' GLN . 60.7 mttm -82.2 -37.04 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.472 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 45' ' ' LEU . 49.3 t -48.35 -10.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -177.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.562 ' H ' ' C ' ' A' ' 15' ' ' LYS . 43.6 mt-30 -59.21 -12.03 4.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.478 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' ASN . 10.7 mt -134.44 109.02 8.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.06 -14.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 18' ' ' LEU . 48.8 m-20 -86.54 -16.65 36.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.4 tm0? -78.71 -47.52 16.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 51.3 m -49.82 -61.81 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.66 -49.35 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -52.95 -60.19 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ASP . 60.0 m-20 -63.52 -43.41 97.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.659 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -62.58 -32.69 73.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 49.6 mtpt -81.42 -36.28 29.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.498 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.96 -24.51 30.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ASP . 43.2 m-20 -89.9 -61.45 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 56.9 mmtt -112.67 -3.35 14.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.509 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.55 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.8 m-70 67.52 60.38 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.68 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.442 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.22 -170.08 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.543 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -118.18 -37.52 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.617 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.449 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 6.9 p -123.73 -19.82 5.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -177.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.7 67.88 0.31 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -91.75 147.06 23.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.582 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -85.08 157.48 20.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.578 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 72.2 m-85 -147.21 171.87 14.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 67.1 m-85 -103.28 121.24 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 81.5 m-20 -98.65 -160.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.49 -25.69 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.515 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -95.34 18.81 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.6 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 43.75 26.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -94.67 151.16 19.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' H ' HG12 ' A' ' 13' ' ' VAL . 2.1 mt -85.76 109.48 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' OE1' ' OD2' ' A' ' 40' ' ' ASP . 3.4 mt-30 -118.37 125.37 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.52 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 30.8 m -61.02 117.9 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.685 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.7 mt -108.22 115.5 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.56 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 30' ' ' LYS . 86.6 m -72.37 121.57 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.55 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -118.82 112.74 20.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -178.249 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.82 64.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 177.177 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.0 m -171.03 -168.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.587 -178.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -102.71 76.33 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.0 p90 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.581 179.643 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 121.112 0.482 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -82.21 115.92 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.577 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.499 ' O ' HG23 ' A' ' 48' ' ' ILE . 63.0 mttm -123.65 138.84 54.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.6 p -112.43 129.64 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.615 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.672 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.3 p90 -140.19 113.85 8.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.486 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 11' ' ' TYR . 81.0 mt-10 -68.3 -85.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.715 -176.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 73.7 m-20 61.39 -57.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.303 -175.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.83 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.9 p90 -121.31 105.21 39.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.361 174.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.7 Cg_exo -47.97 -176.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.032 2.488 . . . . 0.0 112.382 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.493 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.14 -9.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.612 -177.553 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 12' ' ' PRO . 31.5 m -40.68 -48.58 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.3 mttm -84.05 -36.03 23.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.2 t -51.47 -5.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.58 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 15' ' ' LYS . 79.0 mm-40 -57.08 -23.36 46.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.519 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.9 mt -126.26 116.03 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.478 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.07 -13.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.505 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 18' ' ' LEU . 46.7 m-20 -87.63 -15.1 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.34 -49.78 12.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 54.3 m -49.44 -60.43 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.56 -49.92 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.602 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.33 -60.09 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.584 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 29' ' ' ASP . 76.9 m-20 -62.66 -43.81 97.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.591 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -62.1 -34.02 75.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 49.2 mtpt -80.87 -35.72 32.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.13 -24.39 30.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ASP . 39.8 m-20 -90.17 -61.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 -176.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.2 mmtt -112.67 -2.52 14.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.8 m80 66.8 61.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.673 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -87.98 -166.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.565 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -116.4 -45.31 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.581 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 28.0 m -123.35 -14.55 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.653 -177.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.69 68.27 0.29 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -88.59 145.21 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.57 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -83.79 155.72 22.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 70.4 m-85 -147.17 169.91 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 79.5 m-85 -99.79 123.89 44.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.567 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -103.03 -158.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.5 -24.43 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 44' ' ' ASN . 26.1 mtmm -96.79 18.61 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 43.82 24.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 42' ' ' LYS . 44.8 m-20 -96.15 149.9 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.2 mt -80.88 108.34 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -110.96 122.94 49.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.548 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.488 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 40.1 m -60.51 111.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.525 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.7 mt -101.75 119.33 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.673 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 99.6 m -78.2 118.38 20.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -111.46 114.32 27.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.604 -178.44 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.696 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -105.01 62.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.514 177.657 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.696 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.0 m -172.49 -167.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.523 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -105.16 75.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.607 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.1 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.558 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 121.148 0.499 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -80.15 116.24 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.55 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' ILE . 25.6 mtpp -123.26 138.19 54.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 7' ' ' VAL . 13.0 p -111.98 128.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.701 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.667 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 11.0 p90 -138.74 114.13 9.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.529 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 11' ' ' TYR . 85.8 mt-10 -68.37 -85.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.714 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 81.9 m-20 61.22 -58.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.332 -175.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.827 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.2 p90 -121.45 105.23 39.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.363 174.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 51.3 Cg_exo -48.4 -177.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 123.087 2.525 . . . . 0.0 112.357 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -48.86 -10.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.598 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 21.4 t -40.81 -51.21 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.58 ' C ' ' H ' ' A' ' 17' ' ' GLN . 51.0 mttm -83.28 -37.92 22.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.469 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.4 t -51.54 -4.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.58 ' H ' ' C ' ' A' ' 15' ' ' LYS . 77.7 mm-40 -56.52 -22.7 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.473 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt -124.79 116.78 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.551 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.92 -14.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.559 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -87.26 -16.19 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.63 -50.31 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.512 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 54.6 m -49.47 -60.78 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.44 -49.78 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.42 -59.78 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.638 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ASP . 76.1 m-20 -62.96 -44.46 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.482 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -61.68 -34.18 75.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.634 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.7 mtpt -80.85 -35.95 32.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.25 -24.66 29.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.498 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' ASP . 54.0 m-20 -89.67 -61.62 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 -176.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.0 mmtt -113.19 -2.65 14.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 -176.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.7 m80 66.51 62.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.665 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.683 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -89.77 -163.82 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -115.47 -50.63 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.457 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 9.4 t -123.5 -8.43 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.633 -177.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.85 67.48 0.34 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -83.35 145.0 29.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 0.0 110.59 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.05 155.23 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.462 ' CD1' HD12 ' A' ' 48' ' ' ILE . 88.1 m-85 -147.32 167.96 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CE1' HD21 ' A' ' 45' ' ' LEU . 74.8 m-85 -95.49 125.42 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.473 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -103.62 -159.44 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.33 -22.02 66.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 44' ' ' ASN . 25.9 mtmm -99.07 20.3 13.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.505 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 42.58 23.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.553 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 42' ' ' LYS . 54.1 m-20 -96.75 151.14 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.503 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.9 mt -82.59 112.0 19.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -112.39 121.49 45.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.498 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 37.7 m -60.0 111.59 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.595 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.5 mt -102.44 118.71 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.683 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 97.0 m -77.09 120.91 22.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.55 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.431 ' OD1' HG22 ' A' ' 48' ' ' ILE . 3.5 m-20 -113.84 111.49 21.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.711 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -102.41 61.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.553 177.836 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.711 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 11.1 m -172.56 -167.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -105.07 73.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.604 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.605 179.525 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 121.137 0.494 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -78.32 116.57 18.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.551 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.472 ' O ' HG23 ' A' ' 48' ' ' ILE . 55.7 mttp -124.53 136.29 53.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.3 p -108.01 127.19 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.625 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.689 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 5.3 p90 -136.87 114.82 11.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.6 ' O ' ' N ' ' A' ' 11' ' ' TYR . 77.8 mt-10 -69.48 -83.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.707 -176.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 84.9 m-20 60.84 -59.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.387 -175.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 38.3 p90 -121.99 106.68 36.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.31 173.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' SER . 56.0 Cg_exo -47.23 -176.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.04 2.493 . . . . 0.0 112.364 -177.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -46.92 -11.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 -178.066 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' PRO . 23.0 t -41.84 -49.19 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.527 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.573 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.9 mmtt -81.96 -40.79 21.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.487 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 54.1 t -52.11 -4.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.573 ' H ' ' C ' ' A' ' 15' ' ' LYS . 82.0 mm-40 -56.27 -25.87 49.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -123.94 111.58 16.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.534 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.16 -12.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.47 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 18' ' ' LEU . 47.8 m-20 -86.73 -30.95 21.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' LEU . 2.1 tm0? -64.24 -48.41 75.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.562 -178.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 58.2 m -49.25 -62.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.549 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.96 -50.34 14.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -52.78 -60.62 3.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' ASP . 93.2 m-20 -62.87 -44.17 96.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.591 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.13 -34.7 75.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.82 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.0 mtpt -81.43 -35.75 30.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.501 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -83.42 -24.31 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ASP . 72.8 m-20 -91.55 -62.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -110.53 -2.83 16.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.467 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.4 m80 66.42 59.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -87.12 -163.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -115.79 -51.73 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 16.0 m -123.64 -7.14 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -177.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.72 66.79 0.37 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -81.34 147.4 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.61 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -94.3 154.78 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.498 ' CD1' HD12 ' A' ' 48' ' ' ILE . 84.6 m-85 -148.08 170.2 18.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' CE1' HD21 ' A' ' 45' ' ' LEU . 72.0 m-85 -97.16 127.71 43.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -103.5 -158.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.638 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -67.3 -20.1 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ASN . 42.8 mtmt -99.92 20.89 13.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 43.2 20.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.521 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' LYS . 53.6 m-20 -94.56 151.33 19.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.55 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.8 mt -82.52 120.32 25.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -120.92 121.21 37.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.528 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.1 m -60.42 112.09 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.581 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' CD1' ' A' ' 38' ' ' PHE . 6.7 mt -101.22 117.56 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.671 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 90.4 m -76.06 119.33 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -112.03 115.11 28.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -178.247 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.704 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -105.54 62.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.588 177.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.704 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.2 m -172.76 -167.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.533 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -106.6 74.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 179.659 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.907 0.384 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HZ2' ' HB3' ' A' ' 54' ' ' TYR . 44.8 mmtt -70.43 116.69 11.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.556 ' O ' HG23 ' A' ' 48' ' ' ILE . 61.5 mttp -123.6 138.33 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.536 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.2 p -113.37 129.32 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.671 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.8 p90 -140.05 113.88 8.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.452 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.602 ' O ' ' N ' ' A' ' 11' ' ' TYR . 84.7 mt-10 -68.34 -85.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.749 -176.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 78.5 m-20 61.38 -57.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.333 -175.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.826 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.1 p90 -121.38 105.04 39.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.299 174.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.539 ' C ' ' H ' ' A' ' 14' ' ' SER . 50.7 Cg_exo -48.4 -177.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.086 2.524 . . . . 0.0 112.418 -177.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -48.64 -10.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.597 -178.312 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.539 ' H ' ' C ' ' A' ' 12' ' ' PRO . 29.7 t -40.76 -51.34 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.535 -177.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.582 ' C ' ' H ' ' A' ' 17' ' ' GLN . 86.2 mttt -83.26 -38.06 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 42.2 t -51.48 -4.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.627 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.582 ' H ' ' C ' ' A' ' 15' ' ' LYS . 78.3 mm-40 -56.35 -23.62 38.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.447 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -124.29 115.16 20.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.48 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.74 -13.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 18' ' ' LEU . 50.7 m-20 -87.33 -17.36 32.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.0 tm0? -78.04 -49.45 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.0 m -49.61 -60.77 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.48 -49.52 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.57 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -53.79 -60.22 3.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.439 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 70.5 m-20 -62.22 -42.87 99.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.635 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -63.21 -34.68 78.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.2 mtpp -79.96 -34.94 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.531 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.44 -24.8 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' ASP . 52.5 m-20 -90.27 -61.97 1.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 59.6 mmtt -111.61 -3.26 15.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.55 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 13.0 m80 67.06 60.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -87.99 -165.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -116.78 -47.19 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 29.7 m -123.39 -11.63 7.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.694 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.66 67.18 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -83.66 145.48 28.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.564 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.26 155.19 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CD1' HD12 ' A' ' 48' ' ' ILE . 91.8 m-85 -147.59 166.92 25.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 45' ' ' LEU . 77.0 m-85 -94.42 124.81 38.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -103.42 -158.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.65 -22.97 67.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.477 ' NZ ' ' OD1' ' A' ' 44' ' ' ASN . 8.0 mtpm? -98.05 19.71 13.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 42.84 23.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.477 ' OD1' ' NZ ' ' A' ' 42' ' ' LYS . 3.0 m120 -96.83 151.64 19.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.5 mt -82.69 111.54 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -112.13 121.48 45.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.51 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.495 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 35.5 m -60.09 111.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.4 mt -102.76 117.53 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 93.4 m -75.47 119.43 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -116.06 113.95 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 -178.057 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.675 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -107.73 62.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.546 177.364 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.675 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -171.0 -167.44 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -96.88 75.67 2.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.53 ' HB3' ' HZ2' ' A' ' 5' ' ' LYS . 13.2 p90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.258 0.551 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -72.94 116.73 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.523 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 48' ' ' ILE . 46.4 mtmt -125.71 139.81 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.5 p -111.79 130.29 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.674 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 8.9 p90 -140.02 113.98 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.489 177.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.591 ' O ' ' N ' ' A' ' 11' ' ' TYR . 80.8 mt-10 -68.81 -85.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 67.2 m-20 61.77 -57.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.339 -175.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.825 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.3 p90 -121.28 105.24 39.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.356 174.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.4 Cg_exo -47.82 -176.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.035 2.49 . . . . 0.0 112.413 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.48 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.35 -9.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.544 -177.473 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.514 ' H ' ' C ' ' A' ' 12' ' ' PRO . 20.6 m -40.82 -48.12 3.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 -177.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 17' ' ' GLN . 82.8 mttt -84.45 -36.1 22.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.457 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.0 t -51.42 -5.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.1 mm-40 -56.98 -23.77 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.519 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.9 mt -125.88 116.24 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.09 -14.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.481 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 18' ' ' LEU . 46.7 m-20 -87.66 -14.72 39.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.7 tm0? -78.58 -50.03 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.579 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.7 m -49.49 -60.46 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.63 -49.9 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.3 -60.2 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' ASP . 79.4 m-20 -62.41 -43.58 98.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -62.23 -34.33 76.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.582 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 19.9 mtpp -80.97 -35.34 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.514 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.37 -24.89 29.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ASP . 49.5 m-20 -90.1 -61.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.487 -176.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 61.0 mmtt -111.22 -6.54 14.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 -176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.9 m80 69.65 60.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.635 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.668 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -88.13 -164.86 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.58 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -116.06 -47.88 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.504 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.466 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.7 p -122.65 -12.91 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.668 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.7 67.93 0.3 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -87.49 144.6 26.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.538 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -84.02 155.46 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.632 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 71.1 m-85 -147.19 169.36 19.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.584 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 80.0 m-85 -98.62 124.42 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -103.15 -159.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.0 -23.55 67.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.58 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -98.15 19.2 14.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 43.7 24.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -96.26 148.55 22.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.587 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.48 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.5 mt -79.88 108.25 13.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.624 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -110.64 122.68 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.479 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.477 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 39.7 m -60.25 111.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.548 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.4 mt -101.52 118.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.598 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.668 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 91.1 m -77.01 121.3 23.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.552 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -116.06 113.14 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -178.298 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.666 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.46 62.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 177.162 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.0 m -170.56 -168.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -96.9 75.47 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.5 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 179.633 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.1 m . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.987 0.422 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -79.68 116.42 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.603 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 48' ' ' ILE . 45.0 mttm -124.37 138.57 54.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.2 p -109.93 127.79 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.679 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.698 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 4.7 p90 -138.43 113.93 9.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 11' ' ' TYR . 75.8 mt-10 -69.46 -81.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.735 -176.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 95.5 m-20 60.47 -58.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.318 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 34.9 p90 -121.73 106.97 36.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.36 173.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.563 ' O ' ' N ' ' A' ' 14' ' ' SER . 67.5 Cg_exo -46.11 -176.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 123.016 2.477 . . . . 0.0 112.424 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 45' ' ' LEU . 1.2 m -47.44 -10.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.576 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' PRO . 17.8 m -41.53 -47.0 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.517 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 17' ' ' GLN . 19.2 mmtp -81.72 -38.03 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.87 -4.67 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.583 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.519 ' H ' ' C ' ' A' ' 15' ' ' LYS . 81.4 mm-40 -57.8 -26.88 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.488 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -125.59 117.14 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.469 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.25 -14.14 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.469 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 18' ' ' LEU . 33.8 m-20 -88.35 -14.72 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -77.94 -51.54 10.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.4 m -48.51 -62.09 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.502 -178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.24 -50.49 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 -179.669 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -52.73 -61.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.625 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 29' ' ' ASP . 90.1 m-20 -62.71 -43.17 99.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.629 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.84 -34.58 76.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.3 mtpp -81.79 -35.38 29.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -83.28 -24.73 32.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' ASP . 51.1 m-20 -92.04 -62.58 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.483 -176.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 57.6 mmtt -109.01 -3.56 17.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 -176.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.7 m80 66.59 59.6 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -86.48 -164.84 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.543 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -116.12 -49.56 2.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 4.9 p -123.0 -10.94 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.618 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.54 67.5 0.32 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -86.29 146.12 26.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.5 m -86.84 155.24 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 74.2 m-85 -147.63 169.95 18.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CE1' HD21 ' A' ' 45' ' ' LEU . 78.2 m-85 -98.74 124.47 43.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -103.4 -162.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.81 -25.43 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -95.71 18.32 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.637 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 43.83 25.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.58 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -96.98 150.49 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.512 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.469 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.2 mt -81.4 109.25 15.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.6 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -111.5 122.7 48.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.5 m -60.22 110.07 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.0 mt -99.53 117.49 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.558 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 87.8 m -76.57 119.4 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.593 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.451 ' OD1' HG22 ' A' ' 48' ' ' ILE . 3.2 m-20 -111.44 116.48 30.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.71 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -106.56 62.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 177.679 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.71 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.1 m -172.89 -167.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -105.42 73.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.613 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 179.685 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 121.289 0.566 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -79.02 116.71 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.582 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' ILE . 46.5 mttm -123.29 140.41 53.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.64 HG22 HG12 ' A' ' 48' ' ' ILE . 22.6 t -106.95 127.97 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.761 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.754 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 3.1 p90 -140.97 110.33 6.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 11' ' ' TYR . 73.6 mt-10 -73.18 -81.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.704 -175.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 80.7 m-20 61.07 -57.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.281 -175.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.822 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 53.8 p90 -120.77 105.61 40.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.349 174.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 14' ' ' SER . 53.3 Cg_exo -47.65 -176.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.017 2.478 . . . . 0.0 112.419 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.474 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -49.32 -9.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.527 -177.605 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 12' ' ' PRO . 46.6 m -40.69 -49.96 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.478 -177.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.571 ' HZ2' ' HB2' ' A' ' 11' ' ' TYR . 59.2 mttp -83.57 -34.55 25.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' CB ' ' A' ' 45' ' ' LEU . 42.0 t -51.37 -5.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.567 -177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' A' ' 15' ' ' LYS . 78.2 mm-40 -57.13 -21.25 31.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -128.13 116.54 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.553 178.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.48 -15.15 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.488 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -87.91 -12.21 45.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.1 tm0? -78.75 -51.08 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 56.1 m -49.63 -60.93 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.78 -50.04 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -52.7 -61.2 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 29' ' ' ASP . 79.3 m-20 -62.64 -42.29 99.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -58.77 -40.6 84.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 19.7 mtpp -75.43 -36.92 60.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.56 -23.61 34.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.587 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 25' ' ' ASP . 66.4 m-20 -91.36 -61.18 1.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -114.15 -0.69 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 13.5 m80 65.77 58.71 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -86.7 -168.62 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -117.36 -41.33 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 8.0 p -122.86 -19.66 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.626 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.17 68.23 0.26 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -92.66 147.56 22.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.549 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -83.65 155.26 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.641 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.446 ' CD1' HD12 ' A' ' 48' ' ' ILE . 84.6 m-85 -148.71 169.82 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CE1' HD21 ' A' ' 45' ' ' LEU . 77.3 m-85 -98.6 124.09 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.518 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -103.38 -156.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.618 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.82 -24.55 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' A' ' 44' ' ' ASN . 49.6 mtpt -97.21 19.77 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 43.14 23.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.563 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 42' ' ' LYS . 42.7 m-20 -95.18 149.08 21.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.474 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.3 mt -80.49 108.51 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -111.68 125.12 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.1 m -62.83 109.33 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.64 HG12 HG22 ' A' ' 7' ' ' VAL . 11.6 mt -98.81 117.14 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 84.7 m -78.74 113.6 16.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -106.6 119.73 40.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.605 -178.239 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.68 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -109.86 62.41 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 177.246 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.0 m -171.98 -167.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 -178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -104.8 75.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.7 p90 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.503 179.512 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.726 0.298 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -75.66 116.1 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.672 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' ILE . 54.0 mttp -124.15 138.07 54.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 7' ' ' VAL . 11.8 p -109.39 128.05 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.681 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 6.6 p90 -137.14 115.25 11.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.497 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.614 ' O ' ' N ' ' A' ' 11' ' ' TYR . 79.4 mt-10 -69.15 -82.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.724 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 95.6 m-20 60.27 -59.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.331 -175.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.774 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 40.3 p90 -122.11 106.87 35.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.355 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.55 ' O ' ' N ' ' A' ' 14' ' ' SER . 53.2 Cg_exo -47.56 -176.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.039 2.493 . . . . 0.0 112.397 -177.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -47.15 -11.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.54 -178.181 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 12' ' ' PRO . 19.7 m -41.98 -48.75 4.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.639 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.4 mmtt -82.29 -40.52 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.463 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 53.8 t -51.82 -4.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.614 -177.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 15' ' ' LYS . 81.0 mm-40 -56.61 -25.53 53.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.6 mt -124.45 115.63 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 178.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.07 -13.65 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.471 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 18' ' ' LEU . 41.8 m-20 -87.44 -17.05 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.601 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.401 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 1.8 tm0? -77.86 -49.99 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.66 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.6 m -48.75 -62.66 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.81 -50.18 14.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.616 -179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -53.19 -60.7 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.603 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' ASP . 92.5 m-20 -63.02 -43.07 99.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.646 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.89 -34.45 74.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 71.8 mttt -80.29 -37.39 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.52 -23.96 34.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 25' ' ' ASP . 64.5 m-20 -90.77 -61.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 -176.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -113.09 -2.13 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.549 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.7 m80 66.24 61.02 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.613 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -88.45 -165.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -116.42 -47.63 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.452 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 26.2 p -123.86 -11.09 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 36.16 66.4 0.44 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -83.12 146.9 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.56 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.66 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -91.26 155.17 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 73.2 m-85 -147.11 168.76 20.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.478 178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 45' ' ' LEU . 61.0 m-85 -96.72 128.7 43.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -104.15 -160.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.19 -22.06 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ASN . 24.4 mtmm -98.43 21.1 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.591 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 44.57 18.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LYS . 48.8 m-20 -92.09 150.04 21.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.605 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.9 mt -82.77 121.68 27.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -121.84 121.5 37.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.3 m -60.7 112.51 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.5 mt -102.01 117.41 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 92.7 m -76.27 119.41 20.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -112.04 115.06 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 -178.097 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.686 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -106.01 62.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.533 177.589 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.686 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.8 m -172.51 -167.54 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.537 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -100.5 75.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.565 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.694 0.283 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -74.86 116.99 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.601 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' ILE . 43.9 mtmt -125.2 137.14 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.543 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.6 p -110.65 130.27 64.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.593 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.674 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 9.4 p90 -139.6 113.95 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.528 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.593 ' O ' ' N ' ' A' ' 11' ' ' TYR . 85.4 mt-10 -68.66 -86.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.754 -175.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 79.2 m-20 61.63 -57.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.345 -175.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.819 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.2 p90 -121.44 105.06 39.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.371 174.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 51.5 Cg_exo -48.28 -177.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.063 2.509 . . . . 0.0 112.471 -176.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -48.93 -10.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -178.23 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 11.9 t -40.8 -51.53 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' A' ' 17' ' ' GLN . 55.6 mttm -83.55 -37.57 22.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.4 t -51.59 -4.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -177.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.583 ' H ' ' C ' ' A' ' 15' ' ' LYS . 77.3 mm-40 -55.92 -23.16 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.419 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.7 mt -124.2 112.14 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.455 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.64 -12.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.509 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' LEU . 56.6 m-20 -86.95 -27.0 23.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.6 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.5 tm0? -67.95 -47.28 69.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 55.6 m -50.37 -61.19 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.581 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.45 -49.4 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.42 -59.98 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' ASP . 73.9 m-20 -62.76 -43.58 98.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -61.98 -34.84 76.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.644 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.8 mtpt -80.01 -35.82 36.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.2 -24.72 29.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' ASP . 49.4 m-20 -89.97 -61.39 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -176.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 59.5 mmtt -111.9 -6.38 14.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.54 -176.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 13.4 m80 70.1 61.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.64 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -89.26 -166.97 1.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -117.26 -44.24 2.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.573 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 10.4 p -122.77 -14.61 7.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.684 -177.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.93 66.23 0.43 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.99 147.19 26.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.585 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -91.46 154.97 18.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' HD12 ' A' ' 48' ' ' ILE . 90.6 m-85 -147.56 163.25 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 178.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 45' ' ' LEU . 68.0 m-85 -90.08 128.53 36.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.1 -153.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.623 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.09 -20.55 61.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.564 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.6 mtmm -100.62 21.67 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.06 17.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' LYS . 50.4 m-20 -92.36 150.29 20.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.582 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 39' ' ' TYR . 5.4 mt -83.39 118.41 23.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -117.16 121.27 40.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.495 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 41.1 m -60.11 112.76 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.7 mt -103.5 118.94 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.631 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 95.5 m -77.03 122.0 24.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.597 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -116.58 115.22 25.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 -178.166 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.674 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -108.64 61.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 177.279 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 11.6 m -170.57 -167.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.1 mt-10 -100.72 72.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.638 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 23.2 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.231 0.089 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -85.36 115.79 23.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 110.575 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 48' ' ' ILE . 55.3 mttp -123.7 137.79 54.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.585 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.7 p -110.55 127.02 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.603 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.673 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 9.8 p90 -137.57 113.85 10.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 11' ' ' TYR . 78.6 mt-10 -68.63 -84.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 -175.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 92.4 m-20 60.85 -57.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.307 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.821 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.6 p90 -121.49 104.83 39.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.338 174.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.0 Cg_exo -48.12 -177.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.012 2.474 . . . . 0.0 112.4 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -49.02 -10.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.594 -178.221 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 18.6 m -40.93 -50.82 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.536 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' A' ' 17' ' ' GLN . 24.6 mttp -83.99 -37.92 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.467 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.5 t -51.55 -4.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.543 -177.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.587 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.1 mm-40 -56.03 -23.37 32.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.1 mt -124.25 112.31 16.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.559 177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.63 -13.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.528 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.473 ' N ' ' C ' ' A' ' 18' ' ' LEU . 54.2 m-20 -86.49 -25.1 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.4 tm0? -70.28 -48.38 57.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 -178.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.0 m -49.73 -60.61 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.58 -49.62 13.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.567 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.86 -59.18 4.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.585 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.442 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 74.8 m-20 -63.11 -43.68 97.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -63.05 -31.99 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.587 -179.671 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.0 mttm -81.85 -36.84 27.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.95 -24.47 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.552 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 25' ' ' ASP . 44.8 m-20 -89.35 -60.9 1.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 62.0 mmtt -114.88 -2.32 12.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.502 -176.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.538 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.3 m80 66.12 64.39 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.679 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -90.7 -164.82 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -115.93 -48.12 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.596 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 25.8 m -124.17 -10.32 7.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.532 -177.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 36.14 67.39 0.37 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -84.27 145.75 28.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.626 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.7 155.43 18.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 78.1 m-85 -147.48 169.66 19.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.424 ' CE1' HD21 ' A' ' 45' ' ' LEU . 71.1 m-85 -97.13 123.96 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.544 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -102.3 -157.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -66.15 -23.48 66.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.591 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.474 ' NZ ' ' OD1' ' A' ' 44' ' ' ASN . 7.6 mtpm? -96.68 19.57 12.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 43.1 22.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.474 ' OD1' ' NZ ' ' A' ' 42' ' ' LYS . 3.2 m120 -96.94 151.83 19.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.539 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.6 mt -81.95 112.5 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.595 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -112.71 121.25 44.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.512 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 36.1 m -59.95 112.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.612 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 6' ' ' LYS . 7.5 mt -102.39 119.2 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.602 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.679 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 94.2 m -77.37 122.08 24.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.491 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' OD1' HG22 ' A' ' 48' ' ' ILE . 3.4 m-20 -114.6 110.72 20.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.639 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.719 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -101.18 61.32 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 178.037 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.719 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 12.8 m -172.39 -167.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.0 mt-10 -107.11 73.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' GLU . 36.9 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 121.1 0.476 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -76.65 116.6 17.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.531 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 48' ' ' ILE . 63.6 mttm -124.36 137.22 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 7' ' ' VAL . 11.8 p -108.63 128.16 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.663 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.687 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 4.8 p90 -138.38 115.16 10.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.497 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.613 ' O ' ' N ' ' A' ' 11' ' ' TYR . 73.3 mt-10 -69.6 -81.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.709 -176.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 91.8 m-20 60.49 -59.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.331 -175.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.728 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 37.4 p90 -121.65 106.61 37.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.399 173.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 14' ' ' SER . 71.2 Cg_exo -46.15 -176.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.093 2.529 . . . . 0.0 112.373 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.508 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -47.94 -10.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 -177.426 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.54 ' H ' ' C ' ' A' ' 12' ' ' PRO . 23.2 m -41.68 -49.45 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.468 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 17' ' ' GLN . 65.2 mmtt -80.99 -39.91 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.464 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.4 t -51.46 -7.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.523 ' H ' ' C ' ' A' ' 15' ' ' LYS . 72.5 mt-30 -59.64 -19.8 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.45 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 20' ' ' ASN . 10.1 mt -128.1 110.76 12.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.477 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.21 -13.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.434 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 18' ' ' LEU . 52.4 m-20 -86.92 -17.35 33.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.556 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -78.53 -50.71 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.568 -178.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 63.1 m -48.07 -62.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.516 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.52 -50.76 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.626 -179.647 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -51.94 -61.13 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.642 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' ASP . 90.0 m-20 -63.02 -43.38 98.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.06 -36.81 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.686 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 6.3 mtpm? -79.8 -35.89 37.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.02 -24.12 32.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.554 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' ASP . 69.5 m-20 -91.75 -62.29 1.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.507 -176.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -111.1 -2.14 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.549 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.5 m80 66.09 59.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.674 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -86.86 -164.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -115.48 -51.37 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.517 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 43.0 t -123.92 -8.11 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.599 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.91 67.56 0.34 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -83.82 145.48 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -88.72 156.36 19.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.644 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 74.9 m-85 -147.45 169.18 20.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.499 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.466 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 58.8 m-85 -99.75 126.93 45.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -103.24 -162.66 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.78 -26.86 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.633 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -95.38 18.67 12.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 45.98 23.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.607 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -92.11 146.07 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.556 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.508 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 2.4 mt -81.97 111.75 18.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -114.28 121.83 44.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.532 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.2 m -60.76 111.49 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.8 mt -100.69 118.07 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -178.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 85.4 m -77.2 119.18 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.538 178.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -111.74 116.84 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -178.222 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.697 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -107.52 62.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 177.599 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.697 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -172.43 -167.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -104.41 73.71 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.535 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 179.558 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.7 m . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 120.918 0.389 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -84.52 115.84 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 48' ' ' ILE . 7.5 mtpm? -124.42 139.49 53.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.3 p -112.85 128.92 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.627 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.666 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 11.7 p90 -139.02 114.14 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.453 177.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.606 ' O ' ' N ' ' A' ' 11' ' ' TYR . 83.2 mt-10 -67.73 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.703 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 86.1 m-20 61.01 -58.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.36 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.824 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.3 p90 -121.54 105.51 38.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 174.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 50.8 Cg_exo -48.5 -177.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.086 2.524 . . . . 0.0 112.375 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.2 p -49.6 -9.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.608 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 85.4 p -41.3 -50.61 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.585 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 17' ' ' GLN . 56.8 mttp -83.29 -39.06 21.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.6 t -51.31 -4.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 15' ' ' LYS . 79.2 mm-40 -55.94 -23.19 30.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.497 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.5 mt -124.32 115.63 21.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.494 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.84 -13.55 0.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 18' ' ' LEU . 53.4 m-20 -87.56 -16.85 33.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.9 tm0? -78.39 -50.78 11.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.548 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 52.6 m -48.95 -60.17 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.51 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.64 -49.92 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -54.08 -58.37 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.576 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 73.5 m-20 -63.51 -44.57 93.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.656 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -62.35 -32.33 73.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.569 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.8 mttm -81.25 -37.76 28.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -83.49 -24.7 31.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASP . 38.6 m-20 -88.63 -60.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 -176.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -115.23 -2.53 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.494 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.2 m80 65.65 65.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.699 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.681 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -90.55 -161.5 0.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -115.53 -51.67 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 36.6 t -125.13 -6.43 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -178.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 36.36 67.45 0.38 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -83.43 146.07 28.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.577 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -92.8 154.12 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.453 ' CD1' HD12 ' A' ' 48' ' ' ILE . 92.5 m-85 -148.82 147.79 29.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.568 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.742 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 25.0 m-85 -73.63 125.5 28.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.52 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -104.14 -162.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.64 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.51 -24.66 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.567 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 44' ' ' ASN . 51.8 mtpt -91.05 18.71 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.593 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 46.27 18.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 42' ' ' LYS . 60.5 m-20 -102.48 152.05 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.742 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 16.3 mt -80.82 122.97 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.596 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -119.28 120.21 36.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.569 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.501 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 36.9 m -59.79 111.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.7 mt -101.45 118.97 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.681 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 89.8 m -77.71 120.21 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.536 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -113.01 110.54 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.638 -178.618 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.735 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -100.36 61.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.521 177.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.735 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 13.6 m -173.18 -167.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.52 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -108.5 73.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.528 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.589 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 CA--C 1.521 -0.157 0 CA-C-O 121.145 0.498 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HZ2' ' HB3' ' A' ' 54' ' ' TYR . 48.4 mmtt -74.03 116.36 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.605 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 48' ' ' ILE . 58.9 mttp -123.1 140.14 53.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.9 p -112.82 130.25 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.1 p90 -140.9 114.02 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.605 ' O ' ' N ' ' A' ' 11' ' ' TYR . 81.2 mt-10 -68.26 -84.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 -176.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 83.3 m-20 61.01 -57.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.342 -175.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.826 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.2 p90 -121.15 105.41 39.85 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.385 174.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.9 Cg_exo -47.84 -176.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.984 2.456 . . . . 0.0 112.453 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.513 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.34 -9.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.508 -177.46 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 12' ' ' PRO . 16.4 t -40.73 -49.2 3.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.543 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 17' ' ' GLN . 59.3 mttm -83.28 -36.73 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.427 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.6 t -51.11 -5.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.5 mm-40 -57.19 -23.29 46.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 20' ' ' ASN . 9.2 mt -126.32 115.57 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.469 178.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -13.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 18' ' ' LEU . 49.5 m-20 -87.54 -15.55 37.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.41 -50.08 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.495 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.646 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 55.6 m -49.28 -60.26 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.587 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.528 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.61 -50.04 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.594 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.24 -60.37 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 29' ' ' ASP . 75.9 m-20 -62.3 -44.0 97.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -61.89 -35.01 77.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.663 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.3 mtpp -80.06 -35.6 36.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -84.13 -24.69 30.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 25' ' ' ASP . 53.1 m-20 -90.22 -61.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.425 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.3 mmtt -112.47 -2.33 14.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.531 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.6 m80 66.09 61.84 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.611 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.674 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -88.52 -164.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.563 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -115.04 -49.31 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 21.7 t -123.78 -10.54 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.618 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.88 68.44 0.29 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -86.83 143.79 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.584 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.646 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -83.59 155.6 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 69.0 m-85 -146.65 168.97 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 66.4 m-85 -98.31 126.1 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -103.7 -159.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.83 -20.87 66.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' C ' ' N ' ' A' ' 44' ' ' ASN . 25.2 mtpp -99.7 19.54 15.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 45.46 21.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.56 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 42' ' ' LYS . 40.1 m-20 -93.57 148.53 22.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.539 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.513 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.2 mt -82.05 109.78 16.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -111.08 122.85 48.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.48 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 38.5 m -60.67 111.89 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.3 mt -102.46 119.39 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.509 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.674 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 96.8 m -77.78 120.93 23.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.476 ' OD1' HG22 ' A' ' 48' ' ' ILE . 8.7 m-20 -114.64 112.27 22.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 -178.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.688 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -104.94 61.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.594 176.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.688 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -171.82 -167.61 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -99.92 75.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.501 ' HB3' ' HZ2' ' A' ' 5' ' ' LYS . 10.9 p90 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.596 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.943 0.401 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -80.82 116.17 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.515 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 48' ' ' ILE . 64.2 mttm -125.51 140.33 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.8 p -113.94 129.78 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.572 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.669 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.9 p90 -138.05 115.35 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.628 ' O ' ' N ' ' A' ' 11' ' ' TYR . 78.0 mt-10 -66.65 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.711 -176.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 59.82 -59.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.338 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.76 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 32.1 p90 -121.91 108.29 34.86 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.401 173.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.542 ' C ' ' H ' ' A' ' 14' ' ' SER . 71.1 Cg_exo -46.14 -176.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.025 2.483 . . . . 0.0 112.437 -177.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.3 p -48.81 -10.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.54 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.542 ' H ' ' C ' ' A' ' 12' ' ' PRO . 18.2 t -42.34 -43.26 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 17' ' ' GLN . 19.2 mmtp -84.15 -42.5 15.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.439 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.2 m -50.21 -5.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 -177.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 15' ' ' LYS . 82.9 mm-40 -57.63 -27.14 62.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.471 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.4 mt -125.94 112.31 15.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.548 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.99 -12.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.471 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' LEU . 36.0 m-20 -86.82 -29.87 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.614 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.439 HE22 ' CG ' ' A' ' 25' ' ' ASP . 2.1 tm0? -64.85 -50.09 67.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.542 -178.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 68.5 m -49.34 -62.35 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 -178.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -44.22 -50.13 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.666 -179.469 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.31 -60.45 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.653 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ASP . 95.2 m-20 -64.51 -44.3 91.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.642 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.84 -32.97 72.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.627 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.6 mttm -81.74 -38.24 26.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -82.38 -23.83 34.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' ASP . 62.7 m-20 -90.71 -61.25 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 58.0 mmtt -112.92 -4.44 13.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.5 m80 67.96 62.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.658 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.665 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -89.02 -165.92 1.47 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -116.76 -47.1 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 32.9 t -122.89 -12.21 8.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.626 -177.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.95 67.84 0.33 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -92.15 147.65 22.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.621 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 18.4 m -93.23 152.97 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.58 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -148.61 143.09 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.655 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 62.8 m-85 -64.73 125.33 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -104.01 -160.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.631 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.39 -22.09 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' A' ' 44' ' ' ASN . 24.5 mtmm -97.49 21.06 10.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 44.05 21.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' C ' ' A' ' 42' ' ' LYS . 56.4 m-20 -100.9 150.51 22.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.655 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 70.1 mt -83.36 107.69 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.605 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -108.42 121.53 45.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.54 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 57.4 m -58.23 112.78 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.539 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 6' ' ' LYS . 4.7 mt -101.09 117.22 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 91.8 m -77.28 115.15 16.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -108.42 115.87 30.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.504 -178.246 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.714 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -105.1 62.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.51 177.697 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.2 m -172.96 -167.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -108.56 73.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.545 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.512 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.361 0.6 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 5' ' ' LYS . 26.6 mmtp -67.48 117.33 9.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.593 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 48' ' ' ILE . 64.3 mttm -123.74 137.57 54.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -114.37 131.33 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.657 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 13.3 p90 -143.02 114.6 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 177.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 11' ' ' TYR . 87.5 mt-10 -67.12 -86.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.711 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 86.9 m-20 61.9 -58.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.357 -175.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.814 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.2 p90 -121.81 104.69 38.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.388 174.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.2 Cg_exo -49.21 -174.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.042 2.495 . . . . 0.0 112.38 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -49.66 -9.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.512 -177.483 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 12' ' ' PRO . 15.4 t -40.69 -52.54 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' GLN . 60.7 mttm -82.2 -37.04 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.472 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 45' ' ' LEU . 49.3 t -48.35 -10.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -177.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.544 ' N ' ' O ' ' A' ' 15' ' ' LYS . 17.1 mt-30 -59.21 -12.03 4.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.478 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' ASN . 10.7 mt -134.44 109.02 8.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.06 -14.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 18' ' ' LEU . 48.8 m-20 -86.54 -16.65 36.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.4 tm0? -78.71 -47.52 16.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 51.3 m -49.82 -61.81 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.66 -49.35 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -52.95 -60.19 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ASP . 60.0 m-20 -63.52 -43.41 97.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.659 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -62.58 -32.69 73.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 49.6 mtpt -81.42 -36.28 29.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.498 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.96 -24.51 30.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ASP . 43.2 m-20 -89.9 -61.45 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 56.9 mmtt -112.67 -3.35 14.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.509 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.8 m80 67.52 60.38 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.68 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.661 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -87.22 -170.08 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.543 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -118.18 -37.52 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.617 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.449 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 6.9 p -123.73 -19.82 5.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -177.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.7 67.88 0.31 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -91.75 147.06 23.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.582 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -85.08 157.48 20.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.578 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 72.2 m-85 -147.21 171.87 14.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 67.1 m-85 -103.28 121.24 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 81.5 m-20 -98.65 -160.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.49 -25.69 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.515 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -95.34 18.81 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.6 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 43.75 26.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -94.67 151.16 19.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.544 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 2.1 mt -85.76 109.48 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' OE1' ' OD2' ' A' ' 40' ' ' ASP . 3.4 mt-30 -118.37 125.37 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.507 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 30.8 m -61.02 117.9 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.685 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 6' ' ' LYS . 8.7 mt -108.22 115.5 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.56 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.661 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 86.6 m -72.37 121.57 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.55 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -118.82 112.74 20.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -178.249 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.82 64.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 177.177 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.0 m -171.03 -168.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.587 -178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -102.71 76.33 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.0 p90 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.581 179.643 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.846 0.355 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -58.85 -34.19 71.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.635 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m -64.34 -27.44 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.112 0.482 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -82.21 115.92 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.577 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.499 ' O ' HG23 ' A' ' 48' ' ' ILE . 63.0 mttm -123.65 138.84 54.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.6 p -112.43 129.64 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.615 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.672 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.3 p90 -140.19 113.85 8.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.486 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 11' ' ' TYR . 81.0 mt-10 -68.3 -85.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.715 -176.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 73.7 m-20 61.39 -57.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.303 -175.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.83 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.9 p90 -121.31 105.21 39.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.361 174.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.7 Cg_exo -47.97 -176.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.032 2.488 . . . . 0.0 112.382 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.493 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.14 -9.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.612 -177.553 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 12' ' ' PRO . 31.5 m -40.68 -48.58 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.3 mttm -84.05 -36.03 23.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.2 t -51.47 -5.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.58 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 15' ' ' LYS . 79.0 mm-40 -57.08 -23.36 46.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.519 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.9 mt -126.26 116.03 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.478 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.07 -13.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.505 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 18' ' ' LEU . 46.7 m-20 -87.63 -15.1 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.34 -49.78 12.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 54.3 m -49.44 -60.43 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.56 -49.92 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.602 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.33 -60.09 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.584 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 29' ' ' ASP . 76.9 m-20 -62.66 -43.81 97.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.591 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -62.1 -34.02 75.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 49.2 mtpt -80.87 -35.72 32.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.13 -24.39 30.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ASP . 39.8 m-20 -90.17 -61.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 -176.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.2 mmtt -112.67 -2.52 14.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.8 m80 66.8 61.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.673 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -87.98 -166.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.565 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -116.4 -45.31 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.581 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 28.0 m -123.35 -14.55 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.653 -177.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.69 68.27 0.29 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -88.59 145.21 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.57 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -83.79 155.72 22.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 70.4 m-85 -147.17 169.91 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 79.5 m-85 -99.79 123.89 44.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.567 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -103.03 -158.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.5 -24.43 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 44' ' ' ASN . 26.1 mtmm -96.79 18.61 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 43.82 24.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 42' ' ' LYS . 44.8 m-20 -96.15 149.9 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.2 mt -80.88 108.34 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -110.96 122.94 49.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.548 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.488 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 40.1 m -60.51 111.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.525 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.7 mt -101.75 119.33 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.673 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 99.6 m -78.2 118.38 20.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -111.46 114.32 27.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.604 -178.44 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.696 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -105.01 62.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.514 177.657 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.696 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.0 m -172.49 -167.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.523 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -105.16 75.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.607 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.1 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.558 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.812 0.339 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -58.66 -36.76 74.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.646 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.15 -27.9 69.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.148 0.499 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -80.15 116.24 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.55 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' ILE . 25.6 mtpp -123.26 138.19 54.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 7' ' ' VAL . 13.0 p -111.98 128.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.701 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.667 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 11.0 p90 -138.74 114.13 9.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.529 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 11' ' ' TYR . 85.8 mt-10 -68.37 -85.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.714 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 81.9 m-20 61.22 -58.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.332 -175.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.827 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.2 p90 -121.45 105.23 39.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.363 174.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 51.3 Cg_exo -48.4 -177.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 123.087 2.525 . . . . 0.0 112.357 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -48.86 -10.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.598 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 21.4 t -40.81 -51.21 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.58 ' C ' ' H ' ' A' ' 17' ' ' GLN . 51.0 mttm -83.28 -37.92 22.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.469 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.4 t -51.54 -4.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.58 ' H ' ' C ' ' A' ' 15' ' ' LYS . 77.7 mm-40 -56.52 -22.7 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.473 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt -124.79 116.78 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.551 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.92 -14.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.559 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -87.26 -16.19 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.63 -50.31 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.512 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 54.6 m -49.47 -60.78 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.44 -49.78 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.42 -59.78 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.638 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ASP . 76.1 m-20 -62.96 -44.46 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.482 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -61.68 -34.18 75.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.634 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.7 mtpt -80.85 -35.95 32.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.25 -24.66 29.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.498 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' ASP . 54.0 m-20 -89.67 -61.62 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 -176.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.0 mmtt -113.19 -2.65 14.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 -176.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.7 m80 66.51 62.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.665 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.683 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -89.77 -163.82 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -115.47 -50.63 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.457 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 9.4 t -123.5 -8.43 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.633 -177.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.85 67.48 0.34 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -83.35 145.0 29.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 0.0 110.59 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.05 155.23 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.462 ' CD1' HD12 ' A' ' 48' ' ' ILE . 88.1 m-85 -147.32 167.96 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CE1' HD21 ' A' ' 45' ' ' LEU . 74.8 m-85 -95.49 125.42 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.473 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -103.62 -159.44 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.33 -22.02 66.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 44' ' ' ASN . 25.9 mtmm -99.07 20.3 13.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.505 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 42.58 23.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.553 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 42' ' ' LYS . 54.1 m-20 -96.75 151.14 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.503 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.9 mt -82.59 112.0 19.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -112.39 121.49 45.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.498 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 37.7 m -60.0 111.59 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.595 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.5 mt -102.44 118.71 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.683 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 97.0 m -77.09 120.91 22.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.55 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.431 ' OD1' HG22 ' A' ' 48' ' ' ILE . 3.5 m-20 -113.84 111.49 21.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.711 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -102.41 61.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.553 177.836 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.711 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 11.1 m -172.56 -167.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -105.07 73.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.604 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.605 179.525 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -79.85 -5.28 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.0 m -64.03 -29.15 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.137 0.494 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -78.32 116.57 18.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.551 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' O ' HG23 ' A' ' 48' ' ' ILE . 55.7 mttp -124.53 136.29 53.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.3 p -108.01 127.19 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.625 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.689 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 5.3 p90 -136.87 114.82 11.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.6 ' O ' ' N ' ' A' ' 11' ' ' TYR . 77.8 mt-10 -69.48 -83.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.707 -176.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 84.9 m-20 60.84 -59.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.387 -175.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 38.3 p90 -121.99 106.68 36.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.31 173.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' SER . 56.0 Cg_exo -47.23 -176.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.04 2.493 . . . . 0.0 112.364 -177.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -46.92 -11.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 -178.066 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' PRO . 23.0 t -41.84 -49.19 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.527 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.9 mmtt -81.96 -40.79 21.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.487 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 54.1 t -52.11 -4.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.573 ' H ' ' C ' ' A' ' 15' ' ' LYS . 82.0 mm-40 -56.27 -25.87 49.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -123.94 111.58 16.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.534 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.16 -12.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.47 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 18' ' ' LEU . 47.8 m-20 -86.73 -30.95 21.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' LEU . 2.1 tm0? -64.24 -48.41 75.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.562 -178.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 58.2 m -49.25 -62.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.549 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.96 -50.34 14.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -52.78 -60.62 3.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' ASP . 93.2 m-20 -62.87 -44.17 96.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.591 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.13 -34.7 75.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.82 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.0 mtpt -81.43 -35.75 30.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.501 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -83.42 -24.31 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ASP . 72.8 m-20 -91.55 -62.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -110.53 -2.83 16.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.467 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.4 m80 66.42 59.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -87.12 -163.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -115.79 -51.73 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 16.0 m -123.64 -7.14 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -177.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.72 66.79 0.37 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -81.34 147.4 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.61 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -94.3 154.78 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.498 ' CD1' HD12 ' A' ' 48' ' ' ILE . 84.6 m-85 -148.08 170.2 18.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' CE1' HD21 ' A' ' 45' ' ' LEU . 72.0 m-85 -97.16 127.71 43.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -103.5 -158.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.638 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -67.3 -20.1 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ASN . 42.8 mtmt -99.92 20.89 13.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 43.2 20.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.521 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' LYS . 53.6 m-20 -94.56 151.33 19.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.55 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.8 mt -82.52 120.32 25.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -120.92 121.21 37.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.528 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.1 m -60.42 112.09 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.581 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' CD1' ' A' ' 38' ' ' PHE . 6.7 mt -101.22 117.56 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.671 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 90.4 m -76.06 119.33 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -112.03 115.11 28.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -178.247 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.704 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -105.54 62.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.588 177.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.704 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.2 m -172.76 -167.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.533 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -106.6 74.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 179.659 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.836 0.35 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.15 -16.66 60.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.632 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.2 m -62.39 -38.4 89.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.283 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HZ2' ' HB3' ' A' ' 54' ' ' TYR . 44.8 mmtt -70.43 116.69 11.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.556 ' O ' HG23 ' A' ' 48' ' ' ILE . 61.5 mttp -123.6 138.33 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.536 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.2 p -113.37 129.32 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.671 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.8 p90 -140.05 113.88 8.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.452 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.602 ' O ' ' N ' ' A' ' 11' ' ' TYR . 84.7 mt-10 -68.34 -85.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.749 -176.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 78.5 m-20 61.38 -57.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.333 -175.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.826 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.1 p90 -121.38 105.04 39.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.299 174.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.539 ' C ' ' H ' ' A' ' 14' ' ' SER . 50.7 Cg_exo -48.4 -177.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.086 2.524 . . . . 0.0 112.418 -177.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -48.64 -10.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.597 -178.312 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.539 ' H ' ' C ' ' A' ' 12' ' ' PRO . 29.7 t -40.76 -51.34 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.535 -177.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.582 ' C ' ' H ' ' A' ' 17' ' ' GLN . 86.2 mttt -83.26 -38.06 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 42.2 t -51.48 -4.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.627 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.582 ' H ' ' C ' ' A' ' 15' ' ' LYS . 78.3 mm-40 -56.35 -23.62 38.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.447 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -124.29 115.16 20.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.48 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.74 -13.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 18' ' ' LEU . 50.7 m-20 -87.33 -17.36 32.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.0 tm0? -78.04 -49.45 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.0 m -49.61 -60.77 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.48 -49.52 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.57 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -53.79 -60.22 3.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.439 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 70.5 m-20 -62.22 -42.87 99.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.635 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -63.21 -34.68 78.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.2 mtpp -79.96 -34.94 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.531 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.44 -24.8 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' ASP . 52.5 m-20 -90.27 -61.97 1.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 59.6 mmtt -111.61 -3.26 15.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.55 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 13.0 m80 67.06 60.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -87.99 -165.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -116.78 -47.19 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 29.7 m -123.39 -11.63 7.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.694 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.66 67.18 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -83.66 145.48 28.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.564 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.26 155.19 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CD1' HD12 ' A' ' 48' ' ' ILE . 91.8 m-85 -147.59 166.92 25.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 45' ' ' LEU . 77.0 m-85 -94.42 124.81 38.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -103.42 -158.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.65 -22.97 67.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.477 ' NZ ' ' OD1' ' A' ' 44' ' ' ASN . 8.0 mtpm? -98.05 19.71 13.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 42.84 23.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.477 ' OD1' ' NZ ' ' A' ' 42' ' ' LYS . 3.0 m120 -96.83 151.64 19.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.5 mt -82.69 111.54 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -112.13 121.48 45.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.51 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.495 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 35.5 m -60.09 111.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.4 mt -102.76 117.53 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 93.4 m -75.47 119.43 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -116.06 113.95 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 -178.057 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.675 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -107.73 62.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.546 177.364 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.675 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -171.0 -167.44 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -96.88 75.67 2.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.53 ' HB3' ' HZ2' ' A' ' 5' ' ' LYS . 13.2 p90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -58.1 -38.2 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.7 m -63.95 -34.38 77.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.258 0.551 . . . . 0.0 110.748 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -72.94 116.73 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.523 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 48' ' ' ILE . 46.4 mtmt -125.71 139.81 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.5 p -111.79 130.29 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.674 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 8.9 p90 -140.02 113.98 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.489 177.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.591 ' O ' ' N ' ' A' ' 11' ' ' TYR . 80.8 mt-10 -68.81 -85.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 67.2 m-20 61.77 -57.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.339 -175.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.825 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.3 p90 -121.28 105.24 39.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.356 174.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.4 Cg_exo -47.82 -176.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.035 2.49 . . . . 0.0 112.413 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.48 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.35 -9.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.544 -177.473 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.514 ' H ' ' C ' ' A' ' 12' ' ' PRO . 20.6 m -40.82 -48.12 3.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 -177.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 17' ' ' GLN . 82.8 mttt -84.45 -36.1 22.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.457 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.0 t -51.42 -5.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.1 mm-40 -56.98 -23.77 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.519 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.9 mt -125.88 116.24 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.09 -14.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.481 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 18' ' ' LEU . 46.7 m-20 -87.66 -14.72 39.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.7 tm0? -78.58 -50.03 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.579 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.7 m -49.49 -60.46 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.63 -49.9 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.3 -60.2 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' ASP . 79.4 m-20 -62.41 -43.58 98.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -62.23 -34.33 76.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.582 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 19.9 mtpp -80.97 -35.34 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.514 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.37 -24.89 29.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ASP . 49.5 m-20 -90.1 -61.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.487 -176.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 61.0 mmtt -111.22 -6.54 14.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 -176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.9 m80 69.65 60.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.635 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.668 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -88.13 -164.86 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.58 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -116.06 -47.88 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.504 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.466 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.7 p -122.65 -12.91 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.668 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.7 67.93 0.3 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -87.49 144.6 26.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.538 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -84.02 155.46 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.632 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 71.1 m-85 -147.19 169.36 19.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.584 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 80.0 m-85 -98.62 124.42 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -103.15 -159.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.0 -23.55 67.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.58 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -98.15 19.2 14.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 43.7 24.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -96.26 148.55 22.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.587 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.48 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.5 mt -79.88 108.25 13.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.624 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -110.64 122.68 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.479 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.477 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 39.7 m -60.25 111.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.548 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.4 mt -101.52 118.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.598 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.668 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 91.1 m -77.01 121.3 23.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.552 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -116.06 113.14 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -178.298 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.666 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.46 62.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 177.162 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.0 m -170.56 -168.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -96.9 75.47 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.5 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 179.633 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.817 0.341 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HB2' ' HZ3' ' A' ' 3' ' ' LYS . 11.0 ttmm -57.9 -34.35 69.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.1 m -63.82 -27.91 69.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -79.68 116.42 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.603 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 48' ' ' ILE . 45.0 mttm -124.37 138.57 54.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.2 p -109.93 127.79 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.679 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.698 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 4.7 p90 -138.43 113.93 9.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 11' ' ' TYR . 75.8 mt-10 -69.46 -81.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.735 -176.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 95.5 m-20 60.47 -58.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.318 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 34.9 p90 -121.73 106.97 36.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.36 173.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.563 ' O ' ' N ' ' A' ' 14' ' ' SER . 67.5 Cg_exo -46.11 -176.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 123.016 2.477 . . . . 0.0 112.424 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 45' ' ' LEU . 1.2 m -47.44 -10.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.576 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' PRO . 17.8 m -41.53 -47.0 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.517 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 17' ' ' GLN . 19.2 mmtp -81.72 -38.03 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.87 -4.67 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.583 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.519 ' H ' ' C ' ' A' ' 15' ' ' LYS . 81.4 mm-40 -57.8 -26.88 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.488 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -125.59 117.14 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.469 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.25 -14.14 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.469 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 18' ' ' LEU . 33.8 m-20 -88.35 -14.72 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -77.94 -51.54 10.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.4 m -48.51 -62.09 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.502 -178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.24 -50.49 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 -179.669 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -52.73 -61.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.625 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 29' ' ' ASP . 90.1 m-20 -62.71 -43.17 99.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.629 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.84 -34.58 76.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.3 mtpp -81.79 -35.38 29.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -83.28 -24.73 32.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' ASP . 51.1 m-20 -92.04 -62.58 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.483 -176.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 57.6 mmtt -109.01 -3.56 17.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 -176.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.7 m80 66.59 59.6 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -86.48 -164.84 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.543 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -116.12 -49.56 2.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 4.9 p -123.0 -10.94 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.618 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.54 67.5 0.32 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -86.29 146.12 26.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.5 m -86.84 155.24 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 74.2 m-85 -147.63 169.95 18.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CE1' HD21 ' A' ' 45' ' ' LEU . 78.2 m-85 -98.74 124.47 43.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -103.4 -162.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.81 -25.43 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -95.71 18.32 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.637 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 43.83 25.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.58 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -96.98 150.49 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.512 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.469 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.2 mt -81.4 109.25 15.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.6 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -111.5 122.7 48.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.5 m -60.22 110.07 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.0 mt -99.53 117.49 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.558 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 87.8 m -76.57 119.4 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.593 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' OD1' HG22 ' A' ' 48' ' ' ILE . 3.2 m-20 -111.44 116.48 30.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.71 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -106.56 62.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 177.679 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.71 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.1 m -172.89 -167.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -105.42 73.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.613 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 179.685 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.878 0.37 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.25 -34.66 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m -64.24 -29.85 70.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.289 0.566 . . . . 0.0 110.718 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -79.02 116.71 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.582 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' ILE . 46.5 mttm -123.29 140.41 53.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.64 HG22 HG12 ' A' ' 48' ' ' ILE . 22.6 t -106.95 127.97 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.761 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.754 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 3.1 p90 -140.97 110.33 6.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 11' ' ' TYR . 73.6 mt-10 -73.18 -81.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.704 -175.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 80.7 m-20 61.07 -57.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.281 -175.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.822 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 53.8 p90 -120.77 105.61 40.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.349 174.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 14' ' ' SER . 53.3 Cg_exo -47.65 -176.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.017 2.478 . . . . 0.0 112.419 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.474 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -49.32 -9.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.527 -177.605 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 12' ' ' PRO . 46.6 m -40.69 -49.96 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.478 -177.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.571 ' HZ2' ' HB2' ' A' ' 11' ' ' TYR . 59.2 mttp -83.57 -34.55 25.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' CB ' ' A' ' 45' ' ' LEU . 42.0 t -51.37 -5.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.567 -177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' A' ' 15' ' ' LYS . 78.2 mm-40 -57.13 -21.25 31.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -128.13 116.54 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.553 178.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.48 -15.15 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.488 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -87.91 -12.21 45.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.1 tm0? -78.75 -51.08 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 56.1 m -49.63 -60.93 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.78 -50.04 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -52.7 -61.2 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 29' ' ' ASP . 79.3 m-20 -62.64 -42.29 99.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -58.77 -40.6 84.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 19.7 mtpp -75.43 -36.92 60.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.56 -23.61 34.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.587 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 25' ' ' ASP . 66.4 m-20 -91.36 -61.18 1.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -114.15 -0.69 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 13.5 m80 65.77 58.71 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -86.7 -168.62 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -117.36 -41.33 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 8.0 p -122.86 -19.66 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.626 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.17 68.23 0.26 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -92.66 147.56 22.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.549 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -83.65 155.26 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.641 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.446 ' CD1' HD12 ' A' ' 48' ' ' ILE . 84.6 m-85 -148.71 169.82 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CE1' HD21 ' A' ' 45' ' ' LEU . 77.3 m-85 -98.6 124.09 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.518 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -103.38 -156.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.618 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.82 -24.55 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' A' ' 44' ' ' ASN . 49.6 mtpt -97.21 19.77 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 43.14 23.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.563 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 42' ' ' LYS . 42.7 m-20 -95.18 149.08 21.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.474 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.3 mt -80.49 108.51 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -111.68 125.12 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.1 m -62.83 109.33 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.64 HG12 HG22 ' A' ' 7' ' ' VAL . 11.6 mt -98.81 117.14 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 84.7 m -78.74 113.6 16.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -106.6 119.73 40.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.605 -178.239 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.68 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -109.86 62.41 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 177.246 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.0 m -171.98 -167.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 -178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -104.8 75.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.7 p90 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.503 179.512 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.818 0.342 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -80.3 -52.91 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.613 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.4 m -64.54 -34.41 78.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.786 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -75.66 116.1 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.672 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' ILE . 54.0 mttp -124.15 138.07 54.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 7' ' ' VAL . 11.8 p -109.39 128.05 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.681 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 6.6 p90 -137.14 115.25 11.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.497 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.614 ' O ' ' N ' ' A' ' 11' ' ' TYR . 79.4 mt-10 -69.15 -82.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.724 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 95.6 m-20 60.27 -59.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.331 -175.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.774 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 40.3 p90 -122.11 106.87 35.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.355 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.55 ' O ' ' N ' ' A' ' 14' ' ' SER . 53.2 Cg_exo -47.56 -176.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.039 2.493 . . . . 0.0 112.397 -177.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -47.15 -11.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.54 -178.181 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 12' ' ' PRO . 19.7 m -41.98 -48.75 4.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.639 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.4 mmtt -82.29 -40.52 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.463 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 53.8 t -51.82 -4.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.614 -177.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 15' ' ' LYS . 81.0 mm-40 -56.61 -25.53 53.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.6 mt -124.45 115.63 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 178.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.07 -13.65 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.471 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 18' ' ' LEU . 41.8 m-20 -87.44 -17.05 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.601 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.401 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 1.8 tm0? -77.86 -49.99 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.66 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.6 m -48.75 -62.66 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.81 -50.18 14.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.616 -179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -53.19 -60.7 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.603 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' ASP . 92.5 m-20 -63.02 -43.07 99.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.646 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.89 -34.45 74.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 71.8 mttt -80.29 -37.39 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.52 -23.96 34.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 25' ' ' ASP . 64.5 m-20 -90.77 -61.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 -176.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -113.09 -2.13 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.549 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.7 m80 66.24 61.02 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.613 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -88.45 -165.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -116.42 -47.63 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.452 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 26.2 p -123.86 -11.09 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 36.16 66.4 0.44 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -83.12 146.9 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.56 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.66 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -91.26 155.17 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 73.2 m-85 -147.11 168.76 20.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.478 178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 45' ' ' LEU . 61.0 m-85 -96.72 128.7 43.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -104.15 -160.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.19 -22.06 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ASN . 24.4 mtmm -98.43 21.1 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.591 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 44.57 18.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LYS . 48.8 m-20 -92.09 150.04 21.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.605 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.9 mt -82.77 121.68 27.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -121.84 121.5 37.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.3 m -60.7 112.51 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.5 mt -102.01 117.41 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 92.7 m -76.27 119.41 20.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -112.04 115.06 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 -178.097 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.686 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -106.01 62.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.533 177.589 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.686 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.8 m -172.51 -167.54 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.537 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -100.5 75.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.565 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.846 0.355 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -61.9 -17.77 57.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.624 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.4 -32.04 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.155 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -74.86 116.99 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.601 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' ILE . 43.9 mtmt -125.2 137.14 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.543 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.6 p -110.65 130.27 64.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.593 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.674 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 9.4 p90 -139.6 113.95 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.528 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.593 ' O ' ' N ' ' A' ' 11' ' ' TYR . 85.4 mt-10 -68.66 -86.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.754 -175.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 79.2 m-20 61.63 -57.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.345 -175.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.819 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.2 p90 -121.44 105.06 39.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.371 174.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 51.5 Cg_exo -48.28 -177.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.063 2.509 . . . . 0.0 112.471 -176.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -48.93 -10.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -178.23 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 11.9 t -40.8 -51.53 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' A' ' 17' ' ' GLN . 55.6 mttm -83.55 -37.57 22.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.4 t -51.59 -4.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -177.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.583 ' H ' ' C ' ' A' ' 15' ' ' LYS . 77.3 mm-40 -55.92 -23.16 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.419 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.7 mt -124.2 112.14 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.455 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.64 -12.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.509 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' LEU . 56.6 m-20 -86.95 -27.0 23.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.6 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.5 tm0? -67.95 -47.28 69.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 55.6 m -50.37 -61.19 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.581 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.45 -49.4 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.42 -59.98 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' ASP . 73.9 m-20 -62.76 -43.58 98.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -61.98 -34.84 76.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.644 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.8 mtpt -80.01 -35.82 36.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.2 -24.72 29.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' ASP . 49.4 m-20 -89.97 -61.39 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -176.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 59.5 mmtt -111.9 -6.38 14.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.54 -176.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 13.4 m80 70.1 61.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.64 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -89.26 -166.97 1.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -117.26 -44.24 2.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.573 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 10.4 p -122.77 -14.61 7.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.684 -177.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.93 66.23 0.43 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.99 147.19 26.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.585 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -91.46 154.97 18.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' HD12 ' A' ' 48' ' ' ILE . 90.6 m-85 -147.56 163.25 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 178.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 45' ' ' LEU . 68.0 m-85 -90.08 128.53 36.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.1 -153.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.623 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.09 -20.55 61.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.564 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.6 mtmm -100.62 21.67 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.06 17.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' LYS . 50.4 m-20 -92.36 150.29 20.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.582 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 39' ' ' TYR . 5.4 mt -83.39 118.41 23.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -117.16 121.27 40.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.495 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 41.1 m -60.11 112.76 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.7 mt -103.5 118.94 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.631 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 95.5 m -77.03 122.0 24.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.597 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -116.58 115.22 25.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 -178.166 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.674 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -108.64 61.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 177.279 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 11.6 m -170.57 -167.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.1 mt-10 -100.72 72.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.638 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 23.2 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.761 0.315 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -77.47 -46.63 21.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -62.8 -25.17 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -85.36 115.79 23.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 110.575 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 48' ' ' ILE . 55.3 mttp -123.7 137.79 54.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.585 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.7 p -110.55 127.02 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.603 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.673 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 9.8 p90 -137.57 113.85 10.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 11' ' ' TYR . 78.6 mt-10 -68.63 -84.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 -175.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 92.4 m-20 60.85 -57.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.307 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.821 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.6 p90 -121.49 104.83 39.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.338 174.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.0 Cg_exo -48.12 -177.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.012 2.474 . . . . 0.0 112.4 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -49.02 -10.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.594 -178.221 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 18.6 m -40.93 -50.82 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.536 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' A' ' 17' ' ' GLN . 24.6 mttp -83.99 -37.92 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.467 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.5 t -51.55 -4.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.543 -177.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.587 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.1 mm-40 -56.03 -23.37 32.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.1 mt -124.25 112.31 16.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.559 177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.63 -13.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.528 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.473 ' N ' ' C ' ' A' ' 18' ' ' LEU . 54.2 m-20 -86.49 -25.1 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.4 tm0? -70.28 -48.38 57.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 -178.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.0 m -49.73 -60.61 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.58 -49.62 13.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.567 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.86 -59.18 4.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.585 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.442 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 74.8 m-20 -63.11 -43.68 97.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -63.05 -31.99 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.587 -179.671 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.0 mttm -81.85 -36.84 27.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.95 -24.47 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.552 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 25' ' ' ASP . 44.8 m-20 -89.35 -60.9 1.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 62.0 mmtt -114.88 -2.32 12.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.502 -176.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.538 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.3 m80 66.12 64.39 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.679 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -90.7 -164.82 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -115.93 -48.12 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.596 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 25.8 m -124.17 -10.32 7.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.532 -177.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 36.14 67.39 0.37 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -84.27 145.75 28.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.626 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.7 155.43 18.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 78.1 m-85 -147.48 169.66 19.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.424 ' CE1' HD21 ' A' ' 45' ' ' LEU . 71.1 m-85 -97.13 123.96 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.544 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -102.3 -157.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -66.15 -23.48 66.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.591 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.474 ' NZ ' ' OD1' ' A' ' 44' ' ' ASN . 7.6 mtpm? -96.68 19.57 12.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 43.1 22.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.474 ' OD1' ' NZ ' ' A' ' 42' ' ' LYS . 3.2 m120 -96.94 151.83 19.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.539 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.6 mt -81.95 112.5 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.595 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -112.71 121.25 44.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.512 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 36.1 m -59.95 112.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.612 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 6' ' ' LYS . 7.5 mt -102.39 119.2 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.602 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.679 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 94.2 m -77.37 122.08 24.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.491 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' OD1' HG22 ' A' ' 48' ' ' ILE . 3.4 m-20 -114.6 110.72 20.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.639 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.719 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -101.18 61.32 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 178.037 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.719 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 12.8 m -172.39 -167.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.0 mt-10 -107.11 73.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' GLU . 36.9 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.783 0.325 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -58.14 -37.27 74.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.618 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.2 m -63.96 -30.71 71.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.1 0.476 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -76.65 116.6 17.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.531 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 48' ' ' ILE . 63.6 mttm -124.36 137.22 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 7' ' ' VAL . 11.8 p -108.63 128.16 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.663 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.687 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 4.8 p90 -138.38 115.16 10.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.497 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.613 ' O ' ' N ' ' A' ' 11' ' ' TYR . 73.3 mt-10 -69.6 -81.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.709 -176.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 91.8 m-20 60.49 -59.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.331 -175.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.728 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 37.4 p90 -121.65 106.61 37.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.399 173.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 14' ' ' SER . 71.2 Cg_exo -46.15 -176.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.093 2.529 . . . . 0.0 112.373 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.508 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -47.94 -10.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 -177.426 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.54 ' H ' ' C ' ' A' ' 12' ' ' PRO . 23.2 m -41.68 -49.45 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.468 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 17' ' ' GLN . 65.2 mmtt -80.99 -39.91 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.464 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.4 t -51.46 -7.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.523 ' H ' ' C ' ' A' ' 15' ' ' LYS . 72.5 mt-30 -59.64 -19.8 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.45 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 20' ' ' ASN . 10.1 mt -128.1 110.76 12.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.477 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.21 -13.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.434 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 18' ' ' LEU . 52.4 m-20 -86.92 -17.35 33.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.556 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -78.53 -50.71 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.568 -178.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 63.1 m -48.07 -62.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.516 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.52 -50.76 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.626 -179.647 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -51.94 -61.13 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.642 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' ASP . 90.0 m-20 -63.02 -43.38 98.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.06 -36.81 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.686 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 6.3 mtpm? -79.8 -35.89 37.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.02 -24.12 32.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.554 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' ASP . 69.5 m-20 -91.75 -62.29 1.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.507 -176.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -111.1 -2.14 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.549 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.5 m80 66.09 59.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.674 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -86.86 -164.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -115.48 -51.37 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.517 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 43.0 t -123.92 -8.11 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.599 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.91 67.56 0.34 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -83.82 145.48 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -88.72 156.36 19.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.644 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 74.9 m-85 -147.45 169.18 20.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.499 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.466 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 58.8 m-85 -99.75 126.93 45.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -103.24 -162.66 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.78 -26.86 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.633 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -95.38 18.67 12.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 45.98 23.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.607 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -92.11 146.07 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.556 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.508 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 2.4 mt -81.97 111.75 18.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -114.28 121.83 44.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.532 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.2 m -60.76 111.49 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.8 mt -100.69 118.07 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -178.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 85.4 m -77.2 119.18 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.538 178.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -111.74 116.84 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -178.222 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.697 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -107.52 62.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 177.599 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.697 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -172.43 -167.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -104.41 73.71 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.535 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 179.558 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.835 0.35 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -58.15 -35.66 71.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.671 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.7 m -64.09 -24.64 67.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -84.52 115.84 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 48' ' ' ILE . 7.5 mtpm? -124.42 139.49 53.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.3 p -112.85 128.92 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.627 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.666 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 11.7 p90 -139.02 114.14 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.453 177.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.606 ' O ' ' N ' ' A' ' 11' ' ' TYR . 83.2 mt-10 -67.73 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.703 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 86.1 m-20 61.01 -58.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.36 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.824 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.3 p90 -121.54 105.51 38.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 174.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 50.8 Cg_exo -48.5 -177.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.086 2.524 . . . . 0.0 112.375 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.2 p -49.6 -9.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.608 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 85.4 p -41.3 -50.61 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.585 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 17' ' ' GLN . 56.8 mttp -83.29 -39.06 21.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.6 t -51.31 -4.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 15' ' ' LYS . 79.2 mm-40 -55.94 -23.19 30.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.497 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.5 mt -124.32 115.63 21.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.494 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.84 -13.55 0.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 18' ' ' LEU . 53.4 m-20 -87.56 -16.85 33.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.9 tm0? -78.39 -50.78 11.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.548 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 52.6 m -48.95 -60.17 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.51 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.64 -49.92 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -54.08 -58.37 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.576 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 73.5 m-20 -63.51 -44.57 93.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.656 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -62.35 -32.33 73.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.569 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.8 mttm -81.25 -37.76 28.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -83.49 -24.7 31.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASP . 38.6 m-20 -88.63 -60.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 -176.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -115.23 -2.53 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.494 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.2 m80 65.65 65.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.699 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.681 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -90.55 -161.5 0.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -115.53 -51.67 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 36.6 t -125.13 -6.43 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -178.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 36.36 67.45 0.38 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -83.43 146.07 28.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.577 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -92.8 154.12 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.453 ' CD1' HD12 ' A' ' 48' ' ' ILE . 92.5 m-85 -148.82 147.79 29.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.568 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.742 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 25.0 m-85 -73.63 125.5 28.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.52 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -104.14 -162.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.64 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.51 -24.66 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.567 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 44' ' ' ASN . 51.8 mtpt -91.05 18.71 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.593 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 46.27 18.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 42' ' ' LYS . 60.5 m-20 -102.48 152.05 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.742 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 16.3 mt -80.82 122.97 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.596 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -119.28 120.21 36.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.569 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.501 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 36.9 m -59.79 111.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.7 mt -101.45 118.97 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.681 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 89.8 m -77.71 120.21 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.536 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -113.01 110.54 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.638 -178.618 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.735 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -100.36 61.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.521 177.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.735 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 13.6 m -173.18 -167.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.52 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -108.5 73.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.528 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.589 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.839 0.352 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -73.96 -38.87 64.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.2 m -64.06 -36.22 83.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.145 0.498 . . . . 0.0 111.392 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HZ2' ' HB3' ' A' ' 54' ' ' TYR . 48.4 mmtt -74.03 116.36 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.605 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 48' ' ' ILE . 58.9 mttp -123.1 140.14 53.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.9 p -112.82 130.25 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.1 p90 -140.9 114.02 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.605 ' O ' ' N ' ' A' ' 11' ' ' TYR . 81.2 mt-10 -68.26 -84.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 -176.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 83.3 m-20 61.01 -57.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.342 -175.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.826 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.2 p90 -121.15 105.41 39.85 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.385 174.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.9 Cg_exo -47.84 -176.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.984 2.456 . . . . 0.0 112.453 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.513 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.34 -9.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.508 -177.46 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 12' ' ' PRO . 16.4 t -40.73 -49.2 3.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.543 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 17' ' ' GLN . 59.3 mttm -83.28 -36.73 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.427 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.6 t -51.11 -5.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.5 mm-40 -57.19 -23.29 46.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 20' ' ' ASN . 9.2 mt -126.32 115.57 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.469 178.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -13.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 18' ' ' LEU . 49.5 m-20 -87.54 -15.55 37.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.41 -50.08 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.495 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.646 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 55.6 m -49.28 -60.26 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.587 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.528 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.61 -50.04 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.594 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.24 -60.37 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 29' ' ' ASP . 75.9 m-20 -62.3 -44.0 97.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -61.89 -35.01 77.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.663 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.3 mtpp -80.06 -35.6 36.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -84.13 -24.69 30.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 25' ' ' ASP . 53.1 m-20 -90.22 -61.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.425 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.3 mmtt -112.47 -2.33 14.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.531 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.6 m80 66.09 61.84 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.611 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.674 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -88.52 -164.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.563 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -115.04 -49.31 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 21.7 t -123.78 -10.54 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.618 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.88 68.44 0.29 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -86.83 143.79 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.584 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -83.59 155.6 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 69.0 m-85 -146.65 168.97 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 66.4 m-85 -98.31 126.1 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -103.7 -159.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.83 -20.87 66.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' C ' ' N ' ' A' ' 44' ' ' ASN . 25.2 mtpp -99.7 19.54 15.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 45.46 21.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.56 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 42' ' ' LYS . 40.1 m-20 -93.57 148.53 22.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.539 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.513 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.2 mt -82.05 109.78 16.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -111.08 122.85 48.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.48 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 38.5 m -60.67 111.89 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.3 mt -102.46 119.39 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.509 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.674 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 96.8 m -77.78 120.93 23.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.476 ' OD1' HG22 ' A' ' 48' ' ' ILE . 8.7 m-20 -114.64 112.27 22.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 -178.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.688 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -104.94 61.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.594 176.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.688 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -171.82 -167.61 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -99.92 75.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.501 ' HB3' ' HZ2' ' A' ' 5' ' ' LYS . 10.9 p90 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.596 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.789 0.328 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -58.08 -37.1 73.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.683 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.6 m -64.24 -27.37 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.225 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -80.82 116.17 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.515 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 48' ' ' ILE . 64.2 mttm -125.51 140.33 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.8 p -113.94 129.78 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.572 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.669 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.9 p90 -138.05 115.35 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.628 ' O ' ' N ' ' A' ' 11' ' ' TYR . 78.0 mt-10 -66.65 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.711 -176.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 59.82 -59.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.338 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.76 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 32.1 p90 -121.91 108.29 34.86 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.401 173.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' C ' ' H ' ' A' ' 14' ' ' SER . 71.1 Cg_exo -46.14 -176.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.025 2.483 . . . . 0.0 112.437 -177.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.3 p -48.81 -10.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.54 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.542 ' H ' ' C ' ' A' ' 12' ' ' PRO . 18.2 t -42.34 -43.26 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 17' ' ' GLN . 19.2 mmtp -84.15 -42.5 15.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.439 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.2 m -50.21 -5.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 -177.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 15' ' ' LYS . 82.9 mm-40 -57.63 -27.14 62.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.471 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.4 mt -125.94 112.31 15.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.548 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.99 -12.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.471 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' LEU . 36.0 m-20 -86.82 -29.87 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.614 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.439 HE22 ' CG ' ' A' ' 25' ' ' ASP . 2.1 tm0? -64.85 -50.09 67.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.542 -178.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 68.5 m -49.34 -62.35 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 -178.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -44.22 -50.13 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.666 -179.469 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.31 -60.45 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.653 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ASP . 95.2 m-20 -64.51 -44.3 91.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.642 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.84 -32.97 72.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.627 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.6 mttm -81.74 -38.24 26.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -82.38 -23.83 34.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' ASP . 62.7 m-20 -90.71 -61.25 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 58.0 mmtt -112.92 -4.44 13.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.5 m80 67.96 62.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.658 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.665 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -89.02 -165.92 1.47 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -116.76 -47.1 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 32.9 t -122.89 -12.21 8.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.626 -177.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.95 67.84 0.33 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -92.15 147.65 22.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.621 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 18.4 m -93.23 152.97 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.58 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -148.61 143.09 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.655 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 62.8 m-85 -64.73 125.33 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -104.01 -160.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.631 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.39 -22.09 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' A' ' 44' ' ' ASN . 24.5 mtmm -97.49 21.06 10.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 44.05 21.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' C ' ' A' ' 42' ' ' LYS . 56.4 m-20 -100.9 150.51 22.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.655 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 70.1 mt -83.36 107.69 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.605 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -108.42 121.53 45.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.54 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 57.4 m -58.23 112.78 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.539 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 6' ' ' LYS . 4.7 mt -101.09 117.22 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 91.8 m -77.28 115.15 16.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -108.42 115.87 30.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.504 -178.246 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.714 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -105.1 62.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.51 177.697 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.2 m -172.96 -167.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -108.56 73.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.545 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.512 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.876 0.37 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -68.18 -53.49 24.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.8 m -85.37 -39.65 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.361 0.6 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 5' ' ' LYS . 26.6 mmtp -67.48 117.33 9.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.593 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 48' ' ' ILE . 64.3 mttm -123.74 137.57 54.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -114.37 131.33 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.657 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 13.3 p90 -143.02 114.6 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 177.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 11' ' ' TYR . 87.5 mt-10 -67.12 -86.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.711 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 86.9 m-20 61.9 -58.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.357 -175.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.814 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.2 p90 -121.81 104.69 38.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.388 174.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.2 Cg_exo -49.21 -174.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.042 2.495 . . . . 0.0 112.38 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -49.66 -9.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.512 -177.483 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 12' ' ' PRO . 15.4 t -40.69 -52.54 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' GLN . 60.7 mttm -82.2 -37.04 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.472 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 45' ' ' LEU . 49.3 t -48.35 -10.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -177.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.544 ' N ' ' O ' ' A' ' 15' ' ' LYS . 17.1 mt-30 -59.21 -12.03 4.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.478 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' ASN . 10.7 mt -134.44 109.02 8.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.06 -14.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 18' ' ' LEU . 48.8 m-20 -86.54 -16.65 36.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.4 tm0? -78.71 -47.52 16.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 51.3 m -49.82 -61.81 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.66 -49.35 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -52.95 -60.19 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ASP . 60.0 m-20 -63.52 -43.41 97.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.659 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -62.58 -32.69 73.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 49.6 mtpt -81.42 -36.28 29.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.498 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.96 -24.51 30.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ASP . 43.2 m-20 -89.9 -61.45 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 56.9 mmtt -112.67 -3.35 14.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.509 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 12.8 m80 67.52 60.38 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.68 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.661 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -87.22 -170.08 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.543 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -118.18 -37.52 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.617 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.449 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 6.9 p -123.73 -19.82 5.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -177.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.7 67.88 0.31 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -91.75 147.06 23.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.582 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -85.08 157.48 20.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.578 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 72.2 m-85 -147.21 171.87 14.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 67.1 m-85 -103.28 121.24 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 81.5 m-20 -98.65 -160.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.49 -25.69 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.515 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -95.34 18.81 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.6 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 43.75 26.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -94.67 151.16 19.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.544 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 2.1 mt -85.76 109.48 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' OE1' ' OD2' ' A' ' 40' ' ' ASP . 3.4 mt-30 -118.37 125.37 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.507 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 30.8 m -61.02 117.9 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.685 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 6' ' ' LYS . 8.7 mt -108.22 115.5 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.56 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.661 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 86.6 m -72.37 121.57 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.55 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -118.82 112.74 20.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -178.249 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.82 64.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 177.177 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.0 m -171.03 -168.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.587 -178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -102.71 76.33 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.0 p90 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.581 179.643 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 121.112 0.482 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -82.21 115.92 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.577 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.499 ' O ' HG23 ' A' ' 48' ' ' ILE . 63.0 mttm -123.65 138.84 54.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.6 p -112.43 129.64 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.615 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.672 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.3 p90 -140.19 113.85 8.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.486 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 11' ' ' TYR . 81.0 mt-10 -68.3 -85.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.715 -176.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 73.7 m-20 61.39 -57.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.303 -175.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.83 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.9 p90 -121.31 105.21 39.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.361 174.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.7 Cg_exo -47.97 -176.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.032 2.488 . . . . 0.0 112.382 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.493 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.14 -9.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.612 -177.553 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 12' ' ' PRO . 31.5 m -40.68 -48.58 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.3 mttm -84.05 -36.03 23.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.2 t -51.47 -5.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.58 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 15' ' ' LYS . 79.0 mm-40 -57.08 -23.36 46.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.519 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.9 mt -126.26 116.03 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.478 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.07 -13.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.505 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 18' ' ' LEU . 46.7 m-20 -87.63 -15.1 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.34 -49.78 12.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 54.3 m -49.44 -60.43 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.56 -49.92 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.602 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.33 -60.09 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.584 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 29' ' ' ASP . 76.9 m-20 -62.66 -43.81 97.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.591 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -62.1 -34.02 75.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 49.2 mtpt -80.87 -35.72 32.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.13 -24.39 30.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ASP . 39.8 m-20 -90.17 -61.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 -176.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.2 mmtt -112.67 -2.52 14.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.8 m-70 66.8 61.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.673 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -87.98 -166.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.565 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -116.4 -45.31 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.581 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 28.0 m -123.35 -14.55 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.653 -177.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.69 68.27 0.29 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -88.59 145.21 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.57 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -83.79 155.72 22.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 70.4 m-85 -147.17 169.91 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 79.5 m-85 -99.79 123.89 44.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.567 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -103.03 -158.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.5 -24.43 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 44' ' ' ASN . 26.1 mtmm -96.79 18.61 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 43.82 24.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 42' ' ' LYS . 44.8 m-20 -96.15 149.9 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.2 mt -80.88 108.34 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -110.96 122.94 49.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.548 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.488 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 40.1 m -60.51 111.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.525 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.7 mt -101.75 119.33 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.673 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 99.6 m -78.2 118.38 20.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -111.46 114.32 27.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.604 -178.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.696 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -105.01 62.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.514 177.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.696 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.0 m -172.49 -167.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.523 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -105.16 75.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.607 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.1 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.558 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 121.148 0.499 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -80.15 116.24 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.55 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' ILE . 25.6 mtpp -123.26 138.19 54.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 7' ' ' VAL . 13.0 p -111.98 128.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.701 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.667 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 11.0 p90 -138.74 114.13 9.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.529 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 11' ' ' TYR . 85.8 mt-10 -68.37 -85.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.714 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 81.9 m-20 61.22 -58.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.332 -175.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.827 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.2 p90 -121.45 105.23 39.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.363 174.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 51.3 Cg_exo -48.4 -177.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 123.087 2.525 . . . . 0.0 112.357 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -48.86 -10.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.598 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 21.4 t -40.81 -51.21 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.58 ' C ' ' H ' ' A' ' 17' ' ' GLN . 51.0 mttm -83.28 -37.92 22.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.469 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.4 t -51.54 -4.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.58 ' H ' ' C ' ' A' ' 15' ' ' LYS . 77.7 mm-40 -56.52 -22.7 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.473 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt -124.79 116.78 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.551 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.92 -14.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.559 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -87.26 -16.19 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.63 -50.31 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.512 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 54.6 m -49.47 -60.78 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.44 -49.78 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.42 -59.78 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.638 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ASP . 76.1 m-20 -62.96 -44.46 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.482 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -61.68 -34.18 75.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.634 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.7 mtpt -80.85 -35.95 32.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.25 -24.66 29.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.498 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' ASP . 54.0 m-20 -89.67 -61.62 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 -176.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.0 mmtt -113.19 -2.65 14.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 -176.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.6 m-70 66.51 62.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.665 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.683 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -89.77 -163.82 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -115.47 -50.63 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.457 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 9.4 t -123.5 -8.43 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.633 -177.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.85 67.48 0.34 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -83.35 145.0 29.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 0.0 110.59 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.05 155.23 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.462 ' CD1' HD12 ' A' ' 48' ' ' ILE . 88.1 m-85 -147.32 167.96 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CE1' HD21 ' A' ' 45' ' ' LEU . 74.8 m-85 -95.49 125.42 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.473 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -103.62 -159.44 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.33 -22.02 66.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 44' ' ' ASN . 25.9 mtmm -99.07 20.3 13.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.505 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 42.58 23.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.553 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 42' ' ' LYS . 54.1 m-20 -96.75 151.14 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.503 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.9 mt -82.59 112.0 19.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -112.39 121.49 45.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.498 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 37.7 m -60.0 111.59 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.595 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.5 mt -102.44 118.71 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.683 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 97.0 m -77.09 120.91 22.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.55 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.431 ' OD1' HG22 ' A' ' 48' ' ' ILE . 3.5 m-20 -113.84 111.49 21.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.711 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -102.41 61.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.553 177.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.711 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 11.1 m -172.56 -167.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -105.07 73.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.604 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.605 179.525 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 121.137 0.494 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -78.32 116.57 18.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.551 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.472 ' O ' HG23 ' A' ' 48' ' ' ILE . 55.7 mttp -124.53 136.29 53.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.3 p -108.01 127.19 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.625 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.689 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 5.3 p90 -136.87 114.82 11.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.6 ' O ' ' N ' ' A' ' 11' ' ' TYR . 77.8 mt-10 -69.48 -83.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.707 -176.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 84.9 m-20 60.84 -59.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.387 -175.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 38.3 p90 -121.99 106.68 36.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.31 173.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' SER . 56.0 Cg_exo -47.23 -176.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.04 2.493 . . . . 0.0 112.364 -177.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -46.92 -11.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 -178.066 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' PRO . 23.0 t -41.84 -49.19 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.527 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.573 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.9 mmtt -81.96 -40.79 21.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.487 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 54.1 t -52.11 -4.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.573 ' H ' ' C ' ' A' ' 15' ' ' LYS . 82.0 mm-40 -56.27 -25.87 49.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -123.94 111.58 16.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.534 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.16 -12.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.47 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 18' ' ' LEU . 47.8 m-20 -86.73 -30.95 21.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' LEU . 2.1 tm0? -64.24 -48.41 75.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.562 -178.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 58.2 m -49.25 -62.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.549 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.96 -50.34 14.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -52.78 -60.62 3.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' ASP . 93.2 m-20 -62.87 -44.17 96.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.591 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.13 -34.7 75.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.82 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.0 mtpt -81.43 -35.75 30.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.501 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -83.42 -24.31 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ASP . 72.8 m-20 -91.55 -62.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -110.53 -2.83 16.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.467 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.2 m-70 66.42 59.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -87.12 -163.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -115.79 -51.73 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 16.0 m -123.64 -7.14 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -177.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.72 66.79 0.37 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -81.34 147.4 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.61 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -94.3 154.78 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.498 ' CD1' HD12 ' A' ' 48' ' ' ILE . 84.6 m-85 -148.08 170.2 18.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' CE1' HD21 ' A' ' 45' ' ' LEU . 72.0 m-85 -97.16 127.71 43.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -103.5 -158.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.638 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -67.3 -20.1 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ASN . 42.8 mtmt -99.92 20.89 13.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 43.2 20.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.521 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' LYS . 53.6 m-20 -94.56 151.33 19.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.55 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.8 mt -82.52 120.32 25.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -120.92 121.21 37.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.528 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.1 m -60.42 112.09 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.581 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' CD1' ' A' ' 38' ' ' PHE . 6.7 mt -101.22 117.56 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.671 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 90.4 m -76.06 119.33 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -112.03 115.11 28.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -178.247 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.704 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -105.54 62.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.588 177.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.704 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.2 m -172.76 -167.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.533 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -106.6 74.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 179.659 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.907 0.384 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HZ2' ' HB3' ' A' ' 54' ' ' TYR . 44.8 mmtt -70.43 116.69 11.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.556 ' O ' HG23 ' A' ' 48' ' ' ILE . 61.5 mttp -123.6 138.33 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.536 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.2 p -113.37 129.32 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.671 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.8 p90 -140.05 113.88 8.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.452 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.602 ' O ' ' N ' ' A' ' 11' ' ' TYR . 84.7 mt-10 -68.34 -85.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.749 -176.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 78.5 m-20 61.38 -57.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.333 -175.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.826 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.1 p90 -121.38 105.04 39.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.299 174.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.539 ' C ' ' H ' ' A' ' 14' ' ' SER . 50.7 Cg_exo -48.4 -177.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.086 2.524 . . . . 0.0 112.418 -177.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -48.64 -10.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.597 -178.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.539 ' H ' ' C ' ' A' ' 12' ' ' PRO . 29.7 t -40.76 -51.34 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.535 -177.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.582 ' C ' ' H ' ' A' ' 17' ' ' GLN . 86.2 mttt -83.26 -38.06 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 42.2 t -51.48 -4.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.627 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.582 ' H ' ' C ' ' A' ' 15' ' ' LYS . 78.3 mm-40 -56.35 -23.62 38.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.447 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -124.29 115.16 20.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.48 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.74 -13.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 18' ' ' LEU . 50.7 m-20 -87.33 -17.36 32.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.0 tm0? -78.04 -49.45 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.0 m -49.61 -60.77 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.48 -49.52 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.57 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -53.79 -60.22 3.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.439 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 70.5 m-20 -62.22 -42.87 99.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.635 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -63.21 -34.68 78.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.2 mtpp -79.96 -34.94 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.531 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.44 -24.8 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' ASP . 52.5 m-20 -90.27 -61.97 1.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 59.6 mmtt -111.61 -3.26 15.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.55 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 19.1 m-70 67.06 60.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -87.99 -165.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -116.78 -47.19 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 29.7 m -123.39 -11.63 7.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.694 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.66 67.18 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -83.66 145.48 28.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.564 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.26 155.19 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CD1' HD12 ' A' ' 48' ' ' ILE . 91.8 m-85 -147.59 166.92 25.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 45' ' ' LEU . 77.0 m-85 -94.42 124.81 38.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -103.42 -158.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.65 -22.97 67.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.626 ' NZ ' ' ND2' ' A' ' 44' ' ' ASN . 8.0 mtpm? -98.05 19.71 13.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 42.84 23.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.626 ' ND2' ' NZ ' ' A' ' 42' ' ' LYS . 54.5 m-20 -96.83 151.64 19.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.5 mt -82.69 111.54 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -112.13 121.48 45.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.51 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.495 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 35.5 m -60.09 111.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.4 mt -102.76 117.53 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 93.4 m -75.47 119.43 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -116.06 113.95 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 -178.057 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.675 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -107.73 62.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.546 177.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.675 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -171.0 -167.44 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -96.88 75.67 2.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.53 ' HB3' ' HZ2' ' A' ' 5' ' ' LYS . 13.2 p90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.258 0.551 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -72.94 116.73 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.523 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 48' ' ' ILE . 46.4 mtmt -125.71 139.81 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.5 p -111.79 130.29 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.674 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 8.9 p90 -140.02 113.98 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.489 177.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.591 ' O ' ' N ' ' A' ' 11' ' ' TYR . 80.8 mt-10 -68.81 -85.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 67.2 m-20 61.77 -57.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.339 -175.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.825 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.3 p90 -121.28 105.24 39.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.356 174.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.4 Cg_exo -47.82 -176.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.035 2.49 . . . . 0.0 112.413 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.48 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.35 -9.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.544 -177.473 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.514 ' H ' ' C ' ' A' ' 12' ' ' PRO . 20.6 m -40.82 -48.12 3.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 -177.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 17' ' ' GLN . 82.8 mttt -84.45 -36.1 22.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.457 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.0 t -51.42 -5.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.1 mm-40 -56.98 -23.77 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.519 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.9 mt -125.88 116.24 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.09 -14.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.481 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 18' ' ' LEU . 46.7 m-20 -87.66 -14.72 39.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.7 tm0? -78.58 -50.03 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.579 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.7 m -49.49 -60.46 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.63 -49.9 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.3 -60.2 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' ASP . 79.4 m-20 -62.41 -43.58 98.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -62.23 -34.33 76.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.582 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 19.9 mtpp -80.97 -35.34 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.514 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.37 -24.89 29.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ASP . 49.5 m-20 -90.1 -61.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.487 -176.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 61.0 mmtt -111.22 -6.54 14.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 -176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 19.2 m-70 69.65 60.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.635 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.668 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -88.13 -164.86 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.58 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -116.06 -47.88 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.504 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.466 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.7 p -122.65 -12.91 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.668 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.7 67.93 0.3 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -87.49 144.6 26.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.538 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -84.02 155.46 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.632 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 71.1 m-85 -147.19 169.36 19.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.584 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 80.0 m-85 -98.62 124.42 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -103.15 -159.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.0 -23.55 67.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.58 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -98.15 19.2 14.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 43.7 24.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -96.26 148.55 22.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.587 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.48 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.5 mt -79.88 108.25 13.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.624 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -110.64 122.68 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.479 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.477 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 39.7 m -60.25 111.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.548 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.4 mt -101.52 118.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.598 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.668 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 91.1 m -77.01 121.3 23.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.552 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -116.06 113.14 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -178.298 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.666 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.46 62.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 177.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.0 m -170.56 -168.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -96.9 75.47 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.5 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 179.633 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.1 m . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.987 0.422 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -79.68 116.42 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.603 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 48' ' ' ILE . 45.0 mttm -124.37 138.57 54.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.2 p -109.93 127.79 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.679 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.698 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 4.7 p90 -138.43 113.93 9.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 11' ' ' TYR . 75.8 mt-10 -69.46 -81.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.735 -176.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 95.5 m-20 60.47 -58.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.318 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 34.9 p90 -121.73 106.97 36.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.36 173.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.563 ' O ' ' N ' ' A' ' 14' ' ' SER . 67.5 Cg_exo -46.11 -176.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 123.016 2.477 . . . . 0.0 112.424 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 45' ' ' LEU . 1.2 m -47.44 -10.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.576 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' PRO . 17.8 m -41.53 -47.0 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.517 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 17' ' ' GLN . 19.2 mmtp -81.72 -38.03 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.87 -4.67 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.583 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.519 ' H ' ' C ' ' A' ' 15' ' ' LYS . 81.4 mm-40 -57.8 -26.88 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.488 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -125.59 117.14 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.469 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.25 -14.14 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.469 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 18' ' ' LEU . 33.8 m-20 -88.35 -14.72 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -77.94 -51.54 10.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.4 m -48.51 -62.09 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.502 -178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.24 -50.49 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 -179.669 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -52.73 -61.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.625 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 29' ' ' ASP . 90.1 m-20 -62.71 -43.17 99.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.629 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.84 -34.58 76.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.3 mtpp -81.79 -35.38 29.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -83.28 -24.73 32.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' ASP . 51.1 m-20 -92.04 -62.58 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.483 -176.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 57.6 mmtt -109.01 -3.56 17.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 -176.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.7 m-70 66.59 59.6 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -86.48 -164.84 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.543 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -116.12 -49.56 2.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 4.9 p -123.0 -10.94 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.618 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.54 67.5 0.32 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -86.29 146.12 26.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.5 m -86.84 155.24 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 74.2 m-85 -147.63 169.95 18.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CE1' HD21 ' A' ' 45' ' ' LEU . 78.2 m-85 -98.74 124.47 43.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -103.4 -162.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.81 -25.43 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -95.71 18.32 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.637 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 43.83 25.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.58 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -96.98 150.49 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.512 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.469 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.2 mt -81.4 109.25 15.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.6 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -111.5 122.7 48.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.5 m -60.22 110.07 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.0 mt -99.53 117.49 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.558 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 87.8 m -76.57 119.4 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.593 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.451 ' OD1' HG22 ' A' ' 48' ' ' ILE . 3.2 m-20 -111.44 116.48 30.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.71 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -106.56 62.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 177.679 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.71 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.1 m -172.89 -167.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -105.42 73.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.613 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 179.685 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 121.289 0.566 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -79.02 116.71 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.582 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' ILE . 46.5 mttm -123.29 140.41 53.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.64 HG22 HG12 ' A' ' 48' ' ' ILE . 22.6 t -106.95 127.97 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.761 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.754 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 3.1 p90 -140.97 110.33 6.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 11' ' ' TYR . 73.6 mt-10 -73.18 -81.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.704 -175.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 80.7 m-20 61.07 -57.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.281 -175.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.822 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 53.8 p90 -120.77 105.61 40.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.349 174.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 14' ' ' SER . 53.3 Cg_exo -47.65 -176.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.017 2.478 . . . . 0.0 112.419 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.474 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -49.32 -9.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.527 -177.605 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 12' ' ' PRO . 46.6 m -40.69 -49.96 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.478 -177.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.571 ' HZ2' ' HB2' ' A' ' 11' ' ' TYR . 59.2 mttp -83.57 -34.55 25.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' CB ' ' A' ' 45' ' ' LEU . 42.0 t -51.37 -5.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.567 -177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' A' ' 15' ' ' LYS . 78.2 mm-40 -57.13 -21.25 31.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -128.13 116.54 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.553 178.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.48 -15.15 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.488 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -87.91 -12.21 45.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.1 tm0? -78.75 -51.08 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 56.1 m -49.63 -60.93 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.78 -50.04 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -52.7 -61.2 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 29' ' ' ASP . 79.3 m-20 -62.64 -42.29 99.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -58.77 -40.6 84.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 19.7 mtpp -75.43 -36.92 60.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.56 -23.61 34.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.587 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 25' ' ' ASP . 66.4 m-20 -91.36 -61.18 1.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -114.15 -0.69 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 19.8 m-70 65.77 58.71 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -86.7 -168.62 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -117.36 -41.33 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 8.0 p -122.86 -19.66 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.626 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.17 68.23 0.26 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -92.66 147.56 22.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.549 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -83.65 155.26 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.641 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.446 ' CD1' HD12 ' A' ' 48' ' ' ILE . 84.6 m-85 -148.71 169.82 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CE1' HD21 ' A' ' 45' ' ' LEU . 77.3 m-85 -98.6 124.09 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.518 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -103.38 -156.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.618 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.82 -24.55 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' A' ' 44' ' ' ASN . 49.6 mtpt -97.21 19.77 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 43.14 23.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.563 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 42' ' ' LYS . 42.7 m-20 -95.18 149.08 21.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.474 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.3 mt -80.49 108.51 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -111.68 125.12 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.1 m -62.83 109.33 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.64 HG12 HG22 ' A' ' 7' ' ' VAL . 11.6 mt -98.81 117.14 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 84.7 m -78.74 113.6 16.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -106.6 119.73 40.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.605 -178.239 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.68 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -109.86 62.41 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 177.246 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.0 m -171.98 -167.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 -178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -104.8 75.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.7 p90 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.503 179.512 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.726 0.298 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -75.66 116.1 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.672 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' ILE . 54.0 mttp -124.15 138.07 54.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 7' ' ' VAL . 11.8 p -109.39 128.05 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.681 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 6.6 p90 -137.14 115.25 11.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.497 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.614 ' O ' ' N ' ' A' ' 11' ' ' TYR . 79.4 mt-10 -69.15 -82.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.724 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 95.6 m-20 60.27 -59.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.331 -175.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.774 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 40.3 p90 -122.11 106.87 35.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.355 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.55 ' O ' ' N ' ' A' ' 14' ' ' SER . 53.2 Cg_exo -47.56 -176.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.039 2.493 . . . . 0.0 112.397 -177.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -47.15 -11.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.54 -178.181 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 12' ' ' PRO . 19.7 m -41.98 -48.75 4.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.639 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.4 mmtt -82.29 -40.52 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.463 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 53.8 t -51.82 -4.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.614 -177.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 15' ' ' LYS . 81.0 mm-40 -56.61 -25.53 53.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.6 mt -124.45 115.63 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 178.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.07 -13.65 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.471 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 18' ' ' LEU . 41.8 m-20 -87.44 -17.05 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.601 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.401 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 1.8 tm0? -77.86 -49.99 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.66 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.6 m -48.75 -62.66 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.81 -50.18 14.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.616 -179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -53.19 -60.7 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.603 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' ASP . 92.5 m-20 -63.02 -43.07 99.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.646 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.89 -34.45 74.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 71.8 mttt -80.29 -37.39 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.52 -23.96 34.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 25' ' ' ASP . 64.5 m-20 -90.77 -61.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 -176.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -113.09 -2.13 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.549 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.6 m-70 66.24 61.02 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.613 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -88.45 -165.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -116.42 -47.63 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.452 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 26.2 p -123.86 -11.09 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 36.16 66.4 0.44 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -83.12 146.9 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.56 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.66 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -91.26 155.17 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 73.2 m-85 -147.11 168.76 20.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.478 178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 45' ' ' LEU . 61.0 m-85 -96.72 128.7 43.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -104.15 -160.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.19 -22.06 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ASN . 24.4 mtmm -98.43 21.1 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.591 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 44.57 18.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LYS . 48.8 m-20 -92.09 150.04 21.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.605 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.9 mt -82.77 121.68 27.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -121.84 121.5 37.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.3 m -60.7 112.51 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.5 mt -102.01 117.41 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 92.7 m -76.27 119.41 20.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -112.04 115.06 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 -178.097 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.686 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -106.01 62.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.533 177.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.686 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.8 m -172.51 -167.54 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.537 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -100.5 75.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.565 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.694 0.283 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -74.86 116.99 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.601 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' ILE . 43.9 mtmt -125.2 137.14 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.543 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.6 p -110.65 130.27 64.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.593 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.674 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 9.4 p90 -139.6 113.95 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.528 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.593 ' O ' ' N ' ' A' ' 11' ' ' TYR . 85.4 mt-10 -68.66 -86.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.754 -175.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 79.2 m-20 61.63 -57.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.345 -175.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.819 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.2 p90 -121.44 105.06 39.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.371 174.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 51.5 Cg_exo -48.28 -177.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.063 2.509 . . . . 0.0 112.471 -176.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -48.93 -10.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -178.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 11.9 t -40.8 -51.53 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' A' ' 17' ' ' GLN . 55.6 mttm -83.55 -37.57 22.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.4 t -51.59 -4.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -177.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.583 ' H ' ' C ' ' A' ' 15' ' ' LYS . 77.3 mm-40 -55.92 -23.16 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.419 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.7 mt -124.2 112.14 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.455 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.64 -12.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.509 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' LEU . 56.6 m-20 -86.95 -27.0 23.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.6 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.5 tm0? -67.95 -47.28 69.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 55.6 m -50.37 -61.19 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.581 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.45 -49.4 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.42 -59.98 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' ASP . 73.9 m-20 -62.76 -43.58 98.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -61.98 -34.84 76.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.644 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.8 mtpt -80.01 -35.82 36.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.2 -24.72 29.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' ASP . 49.4 m-20 -89.97 -61.39 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -176.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 59.5 mmtt -111.9 -6.38 14.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.54 -176.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 20.0 m-70 70.1 61.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.64 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -89.26 -166.97 1.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -117.26 -44.24 2.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.573 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 10.4 p -122.77 -14.61 7.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.684 -177.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.93 66.23 0.43 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.99 147.19 26.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.585 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -91.46 154.97 18.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' HD12 ' A' ' 48' ' ' ILE . 90.6 m-85 -147.56 163.25 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 178.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 45' ' ' LEU . 68.0 m-85 -90.08 128.53 36.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.1 -153.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.623 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.09 -20.55 61.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.564 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.6 mtmm -100.62 21.67 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.06 17.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' LYS . 50.4 m-20 -92.36 150.29 20.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.582 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 39' ' ' TYR . 5.4 mt -83.39 118.41 23.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -117.16 121.27 40.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.495 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 41.1 m -60.11 112.76 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.7 mt -103.5 118.94 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.631 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 95.5 m -77.03 122.0 24.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.597 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -116.58 115.22 25.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 -178.166 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.674 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -108.64 61.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 177.279 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 11.6 m -170.57 -167.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.1 mt-10 -100.72 72.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.638 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 23.2 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.231 0.089 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -85.36 115.79 23.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 110.575 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 48' ' ' ILE . 55.3 mttp -123.7 137.79 54.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.585 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.7 p -110.55 127.02 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.603 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.673 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 9.8 p90 -137.57 113.85 10.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 11' ' ' TYR . 78.6 mt-10 -68.63 -84.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 -175.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 92.4 m-20 60.85 -57.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.307 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.821 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.6 p90 -121.49 104.83 39.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.338 174.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.0 Cg_exo -48.12 -177.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.012 2.474 . . . . 0.0 112.4 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -49.02 -10.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.594 -178.221 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 18.6 m -40.93 -50.82 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.536 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' A' ' 17' ' ' GLN . 24.6 mttp -83.99 -37.92 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.467 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.5 t -51.55 -4.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.543 -177.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.587 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.1 mm-40 -56.03 -23.37 32.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.1 mt -124.25 112.31 16.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.559 177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.63 -13.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.528 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.473 ' N ' ' C ' ' A' ' 18' ' ' LEU . 54.2 m-20 -86.49 -25.1 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.4 tm0? -70.28 -48.38 57.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 -178.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.0 m -49.73 -60.61 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.58 -49.62 13.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.567 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.86 -59.18 4.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.585 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.442 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 74.8 m-20 -63.11 -43.68 97.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -63.05 -31.99 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.587 -179.671 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.0 mttm -81.85 -36.84 27.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.95 -24.47 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.552 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 25' ' ' ASP . 44.8 m-20 -89.35 -60.9 1.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 62.0 mmtt -114.88 -2.32 12.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.502 -176.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.538 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.0 m-70 66.12 64.39 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.679 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -90.7 -164.82 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -115.93 -48.12 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.596 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 25.8 m -124.17 -10.32 7.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.532 -177.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 36.14 67.39 0.37 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -84.27 145.75 28.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.626 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.7 155.43 18.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 78.1 m-85 -147.48 169.66 19.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.424 ' CE1' HD21 ' A' ' 45' ' ' LEU . 71.1 m-85 -97.13 123.96 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.544 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -102.3 -157.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -66.15 -23.48 66.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.591 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.621 ' NZ ' ' ND2' ' A' ' 44' ' ' ASN . 7.6 mtpm? -96.68 19.57 12.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 43.1 22.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.621 ' ND2' ' NZ ' ' A' ' 42' ' ' LYS . 57.1 m-20 -96.94 151.83 19.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.539 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.6 mt -81.95 112.5 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.595 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -112.71 121.25 44.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.512 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 36.1 m -59.95 112.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.612 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 6' ' ' LYS . 7.5 mt -102.39 119.2 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.602 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.679 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 94.2 m -77.37 122.08 24.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.491 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' OD1' HG22 ' A' ' 48' ' ' ILE . 3.4 m-20 -114.6 110.72 20.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.639 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.719 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -101.18 61.32 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 178.037 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.719 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 12.8 m -172.39 -167.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.0 mt-10 -107.11 73.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' GLU . 36.9 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 121.1 0.476 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -76.65 116.6 17.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.531 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 48' ' ' ILE . 63.6 mttm -124.36 137.22 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 7' ' ' VAL . 11.8 p -108.63 128.16 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.663 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.687 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 4.8 p90 -138.38 115.16 10.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.497 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.613 ' O ' ' N ' ' A' ' 11' ' ' TYR . 73.3 mt-10 -69.6 -81.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.709 -176.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 91.8 m-20 60.49 -59.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.331 -175.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.728 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 37.4 p90 -121.65 106.61 37.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.399 173.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 14' ' ' SER . 71.2 Cg_exo -46.15 -176.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.093 2.529 . . . . 0.0 112.373 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.508 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -47.94 -10.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 -177.426 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.54 ' H ' ' C ' ' A' ' 12' ' ' PRO . 23.2 m -41.68 -49.45 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.468 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 17' ' ' GLN . 65.2 mmtt -80.99 -39.91 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.464 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.4 t -51.46 -7.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.523 ' H ' ' C ' ' A' ' 15' ' ' LYS . 72.5 mt-30 -59.64 -19.8 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.45 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 20' ' ' ASN . 10.1 mt -128.1 110.76 12.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.477 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.21 -13.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.434 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 18' ' ' LEU . 52.4 m-20 -86.92 -17.35 33.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.556 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -78.53 -50.71 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.568 -178.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 63.1 m -48.07 -62.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.516 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.52 -50.76 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.626 -179.647 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -51.94 -61.13 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.642 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' ASP . 90.0 m-20 -63.02 -43.38 98.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.06 -36.81 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.686 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 6.3 mtpm? -79.8 -35.89 37.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.02 -24.12 32.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.554 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' ASP . 69.5 m-20 -91.75 -62.29 1.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.507 -176.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -111.1 -2.14 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.549 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.4 m-70 66.09 59.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.674 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -86.86 -164.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -115.48 -51.37 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.517 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 43.0 t -123.92 -8.11 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.599 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.91 67.56 0.34 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -83.82 145.48 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -88.72 156.36 19.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.644 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 74.9 m-85 -147.45 169.18 20.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.499 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.466 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 58.8 m-85 -99.75 126.93 45.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -103.24 -162.66 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.78 -26.86 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.633 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -95.38 18.67 12.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 45.98 23.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.607 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -92.11 146.07 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.556 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.508 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 2.4 mt -81.97 111.75 18.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -114.28 121.83 44.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.532 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.2 m -60.76 111.49 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.8 mt -100.69 118.07 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -178.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 85.4 m -77.2 119.18 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.538 178.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -111.74 116.84 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -178.222 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.697 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -107.52 62.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 177.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.697 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -172.43 -167.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -104.41 73.71 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.535 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 179.558 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.7 m . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 120.918 0.389 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -84.52 115.84 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 48' ' ' ILE . 7.5 mtpm? -124.42 139.49 53.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.3 p -112.85 128.92 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.627 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.666 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 11.7 p90 -139.02 114.14 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.453 177.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.606 ' O ' ' N ' ' A' ' 11' ' ' TYR . 83.2 mt-10 -67.73 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.703 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 86.1 m-20 61.01 -58.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.36 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.824 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.3 p90 -121.54 105.51 38.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 174.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 50.8 Cg_exo -48.5 -177.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.086 2.524 . . . . 0.0 112.375 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.2 p -49.6 -9.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.608 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 85.4 p -41.3 -50.61 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.585 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 17' ' ' GLN . 56.8 mttp -83.29 -39.06 21.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.6 t -51.31 -4.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 15' ' ' LYS . 79.2 mm-40 -55.94 -23.19 30.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.497 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.5 mt -124.32 115.63 21.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.494 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.84 -13.55 0.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 18' ' ' LEU . 53.4 m-20 -87.56 -16.85 33.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.9 tm0? -78.39 -50.78 11.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.548 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 52.6 m -48.95 -60.17 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.51 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.64 -49.92 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -54.08 -58.37 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.576 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 73.5 m-20 -63.51 -44.57 93.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.656 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -62.35 -32.33 73.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.569 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.8 mttm -81.25 -37.76 28.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -83.49 -24.7 31.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASP . 38.6 m-20 -88.63 -60.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 -176.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -115.23 -2.53 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.494 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 17.9 m-70 65.65 65.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.699 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.681 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -90.55 -161.5 0.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -115.53 -51.67 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 36.6 t -125.13 -6.43 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -178.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 36.36 67.45 0.38 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -83.43 146.07 28.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.577 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -92.8 154.12 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.453 ' CD1' HD12 ' A' ' 48' ' ' ILE . 92.5 m-85 -148.82 147.79 29.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.568 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.742 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 25.0 m-85 -73.63 125.5 28.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.52 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -104.14 -162.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.64 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.51 -24.66 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.567 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 44' ' ' ASN . 51.8 mtpt -91.05 18.71 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.593 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 46.27 18.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 42' ' ' LYS . 60.5 m-20 -102.48 152.05 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.742 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 16.3 mt -80.82 122.97 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.596 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -119.28 120.21 36.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.569 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.501 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 36.9 m -59.79 111.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.7 mt -101.45 118.97 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.681 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 89.8 m -77.71 120.21 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.536 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -113.01 110.54 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.638 -178.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.735 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -100.36 61.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.521 177.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.735 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 13.6 m -173.18 -167.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.52 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -108.5 73.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.528 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.589 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 CA--C 1.521 -0.157 0 CA-C-O 121.145 0.498 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HZ2' ' HB3' ' A' ' 54' ' ' TYR . 48.4 mmtt -74.03 116.36 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.605 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 48' ' ' ILE . 58.9 mttp -123.1 140.14 53.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.9 p -112.82 130.25 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.1 p90 -140.9 114.02 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.605 ' O ' ' N ' ' A' ' 11' ' ' TYR . 81.2 mt-10 -68.26 -84.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 -176.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 83.3 m-20 61.01 -57.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.342 -175.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.826 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.2 p90 -121.15 105.41 39.85 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.385 174.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.9 Cg_exo -47.84 -176.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.984 2.456 . . . . 0.0 112.453 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.513 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.34 -9.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.508 -177.46 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 12' ' ' PRO . 16.4 t -40.73 -49.2 3.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.543 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 17' ' ' GLN . 59.3 mttm -83.28 -36.73 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.427 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.6 t -51.11 -5.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.5 mm-40 -57.19 -23.29 46.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 20' ' ' ASN . 9.2 mt -126.32 115.57 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.469 178.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -13.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 18' ' ' LEU . 49.5 m-20 -87.54 -15.55 37.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.41 -50.08 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.495 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.646 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 55.6 m -49.28 -60.26 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.587 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.528 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.61 -50.04 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.594 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.24 -60.37 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 29' ' ' ASP . 75.9 m-20 -62.3 -44.0 97.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -61.89 -35.01 77.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.3 mtpp -80.06 -35.6 36.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -84.13 -24.69 30.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 25' ' ' ASP . 53.1 m-20 -90.22 -61.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.425 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.3 mmtt -112.47 -2.33 14.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.531 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.5 m-70 66.09 61.84 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.611 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.674 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -88.52 -164.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.563 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -115.04 -49.31 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 21.7 t -123.78 -10.54 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.618 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.88 68.44 0.29 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -86.83 143.79 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.584 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.646 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -83.59 155.6 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 69.0 m-85 -146.65 168.97 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 66.4 m-85 -98.31 126.1 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -103.7 -159.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.83 -20.87 66.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' C ' ' N ' ' A' ' 44' ' ' ASN . 25.2 mtpp -99.7 19.54 15.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 45.46 21.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.56 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 42' ' ' LYS . 40.1 m-20 -93.57 148.53 22.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.539 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.513 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.2 mt -82.05 109.78 16.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -111.08 122.85 48.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.48 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 38.5 m -60.67 111.89 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.3 mt -102.46 119.39 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.509 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.674 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 96.8 m -77.78 120.93 23.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.476 ' OD1' HG22 ' A' ' 48' ' ' ILE . 8.7 m-20 -114.64 112.27 22.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 -178.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.688 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -104.94 61.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.594 176.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.688 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -171.82 -167.61 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -99.92 75.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.501 ' HB3' ' HZ2' ' A' ' 5' ' ' LYS . 10.9 p90 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.596 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.943 0.401 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -80.82 116.17 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.515 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 48' ' ' ILE . 64.2 mttm -125.51 140.33 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.8 p -113.94 129.78 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.572 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.669 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.9 p90 -138.05 115.35 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.628 ' O ' ' N ' ' A' ' 11' ' ' TYR . 78.0 mt-10 -66.65 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.711 -176.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 59.82 -59.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.338 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.76 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 32.1 p90 -121.91 108.29 34.86 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.401 173.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.542 ' C ' ' H ' ' A' ' 14' ' ' SER . 71.1 Cg_exo -46.14 -176.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.025 2.483 . . . . 0.0 112.437 -177.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.3 p -48.81 -10.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.54 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.542 ' H ' ' C ' ' A' ' 12' ' ' PRO . 18.2 t -42.34 -43.26 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 17' ' ' GLN . 19.2 mmtp -84.15 -42.5 15.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.439 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.2 m -50.21 -5.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 -177.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 15' ' ' LYS . 82.9 mm-40 -57.63 -27.14 62.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.471 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.4 mt -125.94 112.31 15.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.548 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.99 -12.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.471 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' LEU . 36.0 m-20 -86.82 -29.87 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.614 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.439 HE22 ' CG ' ' A' ' 25' ' ' ASP . 2.1 tm0? -64.85 -50.09 67.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.542 -178.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 68.5 m -49.34 -62.35 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 -178.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -44.22 -50.13 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.666 -179.469 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.31 -60.45 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.653 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ASP . 95.2 m-20 -64.51 -44.3 91.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.642 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.84 -32.97 72.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.627 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.6 mttm -81.74 -38.24 26.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -82.38 -23.83 34.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' ASP . 62.7 m-20 -90.71 -61.25 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 58.0 mmtt -112.92 -4.44 13.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.7 m-70 67.96 62.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.658 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.665 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -89.02 -165.92 1.47 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -116.76 -47.1 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 32.9 t -122.89 -12.21 8.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.626 -177.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.95 67.84 0.33 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -92.15 147.65 22.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.621 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 18.4 m -93.23 152.97 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.58 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -148.61 143.09 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.655 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 62.8 m-85 -64.73 125.33 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -104.01 -160.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.631 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.39 -22.09 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' A' ' 44' ' ' ASN . 24.5 mtmm -97.49 21.06 10.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 44.05 21.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' C ' ' A' ' 42' ' ' LYS . 56.4 m-20 -100.9 150.51 22.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.655 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 70.1 mt -83.36 107.69 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.605 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -108.42 121.53 45.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.54 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 57.4 m -58.23 112.78 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.539 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 6' ' ' LYS . 4.7 mt -101.09 117.22 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 91.8 m -77.28 115.15 16.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -108.42 115.87 30.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.504 -178.246 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.714 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -105.1 62.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.51 177.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.2 m -172.96 -167.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -108.56 73.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.545 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.512 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.361 0.6 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 5' ' ' LYS . 26.6 mmtp -67.48 117.33 9.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.593 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 48' ' ' ILE . 64.3 mttm -123.74 137.57 54.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -114.37 131.33 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.657 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 13.3 p90 -143.02 114.6 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 177.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 11' ' ' TYR . 87.5 mt-10 -67.12 -86.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.711 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 86.9 m-20 61.9 -58.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.357 -175.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.814 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.2 p90 -121.81 104.69 38.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.388 174.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.2 Cg_exo -49.21 -174.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.042 2.495 . . . . 0.0 112.38 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -49.66 -9.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.512 -177.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 12' ' ' PRO . 15.4 t -40.69 -52.54 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' GLN . 60.7 mttm -82.2 -37.04 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.472 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 45' ' ' LEU . 49.3 t -48.35 -10.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -177.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.544 ' N ' ' O ' ' A' ' 15' ' ' LYS . 43.6 mt-30 -59.21 -12.03 4.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.478 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' ASN . 10.7 mt -134.44 109.02 8.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.06 -14.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 18' ' ' LEU . 48.8 m-20 -86.54 -16.65 36.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.4 tm0? -78.71 -47.52 16.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 51.3 m -49.82 -61.81 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.66 -49.35 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -52.95 -60.19 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ASP . 60.0 m-20 -63.52 -43.41 97.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.659 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -62.58 -32.69 73.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 49.6 mtpt -81.42 -36.28 29.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.498 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.96 -24.51 30.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ASP . 43.2 m-20 -89.9 -61.45 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 56.9 mmtt -112.67 -3.35 14.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.509 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.8 m-70 67.52 60.38 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.68 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.661 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -87.22 -170.08 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.543 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -118.18 -37.52 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.617 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.449 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 6.9 p -123.73 -19.82 5.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -177.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.7 67.88 0.31 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -91.75 147.06 23.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.582 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -85.08 157.48 20.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.578 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 72.2 m-85 -147.21 171.87 14.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 67.1 m-85 -103.28 121.24 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 81.5 m-20 -98.65 -160.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.49 -25.69 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.515 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -95.34 18.81 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.6 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 43.75 26.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -94.67 151.16 19.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.544 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 2.1 mt -85.76 109.48 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' OE1' ' OD2' ' A' ' 40' ' ' ASP . 3.4 mt-30 -118.37 125.37 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.507 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 30.8 m -61.02 117.9 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.685 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 6' ' ' LYS . 8.7 mt -108.22 115.5 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.56 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.661 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 86.6 m -72.37 121.57 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.55 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -118.82 112.74 20.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -178.249 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.82 64.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 177.177 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.0 m -171.03 -168.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.587 -178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -102.71 76.33 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.0 p90 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.581 179.643 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.846 0.355 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -58.85 -34.19 71.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.635 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m -64.34 -27.44 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.112 0.482 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -82.21 115.92 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.577 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.499 ' O ' HG23 ' A' ' 48' ' ' ILE . 63.0 mttm -123.65 138.84 54.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.6 p -112.43 129.64 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.615 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.672 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.3 p90 -140.19 113.85 8.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.486 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 11' ' ' TYR . 81.0 mt-10 -68.3 -85.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.715 -176.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 73.7 m-20 61.39 -57.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.303 -175.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.83 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.9 p90 -121.31 105.21 39.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.361 174.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.7 Cg_exo -47.97 -176.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.032 2.488 . . . . 0.0 112.382 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.493 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.14 -9.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.612 -177.553 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 12' ' ' PRO . 31.5 m -40.68 -48.58 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.3 mttm -84.05 -36.03 23.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.2 t -51.47 -5.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.58 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 15' ' ' LYS . 79.0 mm-40 -57.08 -23.36 46.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.519 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.9 mt -126.26 116.03 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.478 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.07 -13.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.505 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 18' ' ' LEU . 46.7 m-20 -87.63 -15.1 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.34 -49.78 12.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 54.3 m -49.44 -60.43 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.56 -49.92 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.602 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.33 -60.09 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.584 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 29' ' ' ASP . 76.9 m-20 -62.66 -43.81 97.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.591 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -62.1 -34.02 75.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 49.2 mtpt -80.87 -35.72 32.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.13 -24.39 30.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ASP . 39.8 m-20 -90.17 -61.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 -176.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.2 mmtt -112.67 -2.52 14.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.8 m-70 66.8 61.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.673 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -87.98 -166.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.565 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -116.4 -45.31 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.581 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 28.0 m -123.35 -14.55 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.653 -177.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.69 68.27 0.29 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -88.59 145.21 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.57 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.635 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -83.79 155.72 22.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 70.4 m-85 -147.17 169.91 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 79.5 m-85 -99.79 123.89 44.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.567 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -103.03 -158.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.5 -24.43 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 44' ' ' ASN . 26.1 mtmm -96.79 18.61 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 43.82 24.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 42' ' ' LYS . 44.8 m-20 -96.15 149.9 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.2 mt -80.88 108.34 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -110.96 122.94 49.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.548 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.488 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 40.1 m -60.51 111.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.525 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.7 mt -101.75 119.33 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.673 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 99.6 m -78.2 118.38 20.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -111.46 114.32 27.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.604 -178.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.696 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -105.01 62.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.514 177.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.696 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.0 m -172.49 -167.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.523 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -105.16 75.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.607 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.1 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.558 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.812 0.339 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -58.66 -36.76 74.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.646 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.15 -27.9 69.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.148 0.499 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -80.15 116.24 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.55 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' ILE . 25.6 mtpp -123.26 138.19 54.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 7' ' ' VAL . 13.0 p -111.98 128.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.701 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.667 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 11.0 p90 -138.74 114.13 9.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.529 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 11' ' ' TYR . 85.8 mt-10 -68.37 -85.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.714 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 81.9 m-20 61.22 -58.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.332 -175.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.827 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.2 p90 -121.45 105.23 39.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.363 174.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 51.3 Cg_exo -48.4 -177.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 123.087 2.525 . . . . 0.0 112.357 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -48.86 -10.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.598 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 21.4 t -40.81 -51.21 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.58 ' C ' ' H ' ' A' ' 17' ' ' GLN . 51.0 mttm -83.28 -37.92 22.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.469 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.4 t -51.54 -4.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.529 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.58 ' H ' ' C ' ' A' ' 15' ' ' LYS . 77.7 mm-40 -56.52 -22.7 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.473 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt -124.79 116.78 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.551 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.92 -14.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.559 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -87.26 -16.19 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.63 -50.31 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.512 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 54.6 m -49.47 -60.78 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.44 -49.78 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.42 -59.78 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.638 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ASP . 76.1 m-20 -62.96 -44.46 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.482 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -61.68 -34.18 75.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.634 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.7 mtpt -80.85 -35.95 32.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.25 -24.66 29.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.498 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' ASP . 54.0 m-20 -89.67 -61.62 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 -176.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.0 mmtt -113.19 -2.65 14.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 -176.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.6 m-70 66.51 62.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.665 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.683 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -89.77 -163.82 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -115.47 -50.63 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.457 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 9.4 t -123.5 -8.43 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.633 -177.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.85 67.48 0.34 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -83.35 145.0 29.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 0.0 110.59 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.05 155.23 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.462 ' CD1' HD12 ' A' ' 48' ' ' ILE . 88.1 m-85 -147.32 167.96 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CE1' HD21 ' A' ' 45' ' ' LEU . 74.8 m-85 -95.49 125.42 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.473 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -103.62 -159.44 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.33 -22.02 66.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 44' ' ' ASN . 25.9 mtmm -99.07 20.3 13.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.505 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 42.58 23.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.553 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 42' ' ' LYS . 54.1 m-20 -96.75 151.14 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.503 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.9 mt -82.59 112.0 19.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -112.39 121.49 45.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.498 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 37.7 m -60.0 111.59 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.595 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.5 mt -102.44 118.71 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.683 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 97.0 m -77.09 120.91 22.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.55 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.431 ' OD1' HG22 ' A' ' 48' ' ' ILE . 3.5 m-20 -113.84 111.49 21.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.711 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -102.41 61.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.553 177.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.711 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 11.1 m -172.56 -167.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -105.07 73.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.604 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.605 179.525 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -79.85 -5.28 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.0 m -64.03 -29.15 70.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.137 0.494 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -78.32 116.57 18.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.551 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' O ' HG23 ' A' ' 48' ' ' ILE . 55.7 mttp -124.53 136.29 53.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.3 p -108.01 127.19 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.625 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.689 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 5.3 p90 -136.87 114.82 11.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.6 ' O ' ' N ' ' A' ' 11' ' ' TYR . 77.8 mt-10 -69.48 -83.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.707 -176.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 84.9 m-20 60.84 -59.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.387 -175.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 38.3 p90 -121.99 106.68 36.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.31 173.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' SER . 56.0 Cg_exo -47.23 -176.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.04 2.493 . . . . 0.0 112.364 -177.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -46.92 -11.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 -178.066 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' PRO . 23.0 t -41.84 -49.19 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.527 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.9 mmtt -81.96 -40.79 21.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.487 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 54.1 t -52.11 -4.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.573 ' H ' ' C ' ' A' ' 15' ' ' LYS . 82.0 mm-40 -56.27 -25.87 49.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -123.94 111.58 16.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.534 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.16 -12.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.47 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 18' ' ' LEU . 47.8 m-20 -86.73 -30.95 21.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' LEU . 2.1 tm0? -64.24 -48.41 75.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.562 -178.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 58.2 m -49.25 -62.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.549 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.96 -50.34 14.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -52.78 -60.62 3.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' ASP . 93.2 m-20 -62.87 -44.17 96.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.591 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.13 -34.7 75.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.82 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.0 mtpt -81.43 -35.75 30.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.501 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -83.42 -24.31 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ASP . 72.8 m-20 -91.55 -62.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -110.53 -2.83 16.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.467 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.2 m-70 66.42 59.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -87.12 -163.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -115.79 -51.73 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 16.0 m -123.64 -7.14 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -177.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.72 66.79 0.37 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -81.34 147.4 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.61 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -94.3 154.78 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.498 ' CD1' HD12 ' A' ' 48' ' ' ILE . 84.6 m-85 -148.08 170.2 18.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' CE1' HD21 ' A' ' 45' ' ' LEU . 72.0 m-85 -97.16 127.71 43.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -103.5 -158.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.638 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -67.3 -20.1 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ASN . 42.8 mtmt -99.92 20.89 13.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 43.2 20.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.521 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' LYS . 53.6 m-20 -94.56 151.33 19.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.55 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.8 mt -82.52 120.32 25.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -120.92 121.21 37.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.528 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.1 m -60.42 112.09 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.581 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' CD1' ' A' ' 38' ' ' PHE . 6.7 mt -101.22 117.56 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.671 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 90.4 m -76.06 119.33 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -112.03 115.11 28.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -178.247 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.704 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -105.54 62.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.588 177.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.704 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.2 m -172.76 -167.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.533 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -106.6 74.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 179.659 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.836 0.35 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.15 -16.66 60.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.632 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.2 m -62.39 -38.4 89.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.283 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HZ2' ' HB3' ' A' ' 54' ' ' TYR . 44.8 mmtt -70.43 116.69 11.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.556 ' O ' HG23 ' A' ' 48' ' ' ILE . 61.5 mttp -123.6 138.33 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.536 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.2 p -113.37 129.32 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.671 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.8 p90 -140.05 113.88 8.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.452 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.602 ' O ' ' N ' ' A' ' 11' ' ' TYR . 84.7 mt-10 -68.34 -85.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.749 -176.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 78.5 m-20 61.38 -57.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.333 -175.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.826 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.1 p90 -121.38 105.04 39.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.299 174.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.539 ' C ' ' H ' ' A' ' 14' ' ' SER . 50.7 Cg_exo -48.4 -177.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.086 2.524 . . . . 0.0 112.418 -177.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -48.64 -10.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.597 -178.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.539 ' H ' ' C ' ' A' ' 12' ' ' PRO . 29.7 t -40.76 -51.34 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.535 -177.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.582 ' C ' ' H ' ' A' ' 17' ' ' GLN . 86.2 mttt -83.26 -38.06 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 42.2 t -51.48 -4.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.627 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.582 ' H ' ' C ' ' A' ' 15' ' ' LYS . 78.3 mm-40 -56.35 -23.62 38.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.447 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -124.29 115.16 20.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.48 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.74 -13.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 18' ' ' LEU . 50.7 m-20 -87.33 -17.36 32.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.0 tm0? -78.04 -49.45 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.0 m -49.61 -60.77 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.48 -49.52 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.57 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -53.79 -60.22 3.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.657 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.439 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 70.5 m-20 -62.22 -42.87 99.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.635 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -63.21 -34.68 78.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.2 mtpp -79.96 -34.94 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.531 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.44 -24.8 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' ASP . 52.5 m-20 -90.27 -61.97 1.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 59.6 mmtt -111.61 -3.26 15.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.55 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 19.1 m-70 67.06 60.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -87.99 -165.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.2 mtt-85 -116.78 -47.19 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 29.7 m -123.39 -11.63 7.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.694 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.66 67.18 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -83.66 145.48 28.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.564 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.26 155.19 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CD1' HD12 ' A' ' 48' ' ' ILE . 91.8 m-85 -147.59 166.92 25.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 45' ' ' LEU . 77.0 m-85 -94.42 124.81 38.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -103.42 -158.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.65 -22.97 67.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.626 ' NZ ' ' ND2' ' A' ' 44' ' ' ASN . 8.0 mtpm? -98.05 19.71 13.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 42.84 23.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.626 ' ND2' ' NZ ' ' A' ' 42' ' ' LYS . 54.5 m-20 -96.83 151.64 19.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.5 mt -82.69 111.54 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -112.13 121.48 45.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.51 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.495 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 35.5 m -60.09 111.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.4 mt -102.76 117.53 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 93.4 m -75.47 119.43 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -116.06 113.95 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 -178.057 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.675 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -107.73 62.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.546 177.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.675 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -171.0 -167.44 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 -178.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -96.88 75.67 2.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.53 ' HB3' ' HZ2' ' A' ' 5' ' ' LYS . 13.2 p90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -58.1 -38.2 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.7 m -63.95 -34.38 77.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.258 0.551 . . . . 0.0 110.748 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -72.94 116.73 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.523 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 48' ' ' ILE . 46.4 mtmt -125.71 139.81 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.5 p -111.79 130.29 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.674 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 8.9 p90 -140.02 113.98 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.489 177.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.591 ' O ' ' N ' ' A' ' 11' ' ' TYR . 80.8 mt-10 -68.81 -85.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 67.2 m-20 61.77 -57.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.339 -175.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.825 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.3 p90 -121.28 105.24 39.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.356 174.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.4 Cg_exo -47.82 -176.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.035 2.49 . . . . 0.0 112.413 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.48 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.35 -9.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.544 -177.473 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.514 ' H ' ' C ' ' A' ' 12' ' ' PRO . 20.6 m -40.82 -48.12 3.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 -177.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 17' ' ' GLN . 82.8 mttt -84.45 -36.1 22.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.457 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.0 t -51.42 -5.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.1 mm-40 -56.98 -23.77 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.519 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.9 mt -125.88 116.24 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.09 -14.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.481 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 18' ' ' LEU . 46.7 m-20 -87.66 -14.72 39.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.7 tm0? -78.58 -50.03 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.579 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.7 m -49.49 -60.46 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.63 -49.9 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.3 -60.2 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' ASP . 79.4 m-20 -62.41 -43.58 98.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -62.23 -34.33 76.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.582 -179.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 19.9 mtpp -80.97 -35.34 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.514 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.37 -24.89 29.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ASP . 49.5 m-20 -90.1 -61.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.487 -176.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 61.0 mmtt -111.22 -6.54 14.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 -176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 19.2 m-70 69.65 60.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.635 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.668 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -88.13 -164.86 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.58 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -116.06 -47.88 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.504 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.466 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.7 p -122.65 -12.91 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.668 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.7 67.93 0.3 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -87.49 144.6 26.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.538 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -84.02 155.46 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.632 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 71.1 m-85 -147.19 169.36 19.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.584 178.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 80.0 m-85 -98.62 124.42 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -103.15 -159.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.0 -23.55 67.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.58 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -98.15 19.2 14.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 43.7 24.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -96.26 148.55 22.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.587 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.48 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.5 mt -79.88 108.25 13.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.624 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -110.64 122.68 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.479 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.477 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 39.7 m -60.25 111.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.548 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.4 mt -101.52 118.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.598 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.668 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 91.1 m -77.01 121.3 23.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.552 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -116.06 113.14 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -178.298 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.666 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.46 62.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 177.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.0 m -170.56 -168.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -96.9 75.47 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.5 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 179.633 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.817 0.341 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HB2' ' HZ3' ' A' ' 3' ' ' LYS . 11.0 ttmm -57.9 -34.35 69.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.1 m -63.82 -27.91 69.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -79.68 116.42 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.603 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 48' ' ' ILE . 45.0 mttm -124.37 138.57 54.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.2 p -109.93 127.79 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.679 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.698 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 4.7 p90 -138.43 113.93 9.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 11' ' ' TYR . 75.8 mt-10 -69.46 -81.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.735 -176.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 95.5 m-20 60.47 -58.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.318 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 34.9 p90 -121.73 106.97 36.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.36 173.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.563 ' O ' ' N ' ' A' ' 14' ' ' SER . 67.5 Cg_exo -46.11 -176.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 123.016 2.477 . . . . 0.0 112.424 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 45' ' ' LEU . 1.2 m -47.44 -10.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.576 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' PRO . 17.8 m -41.53 -47.0 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.517 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 17' ' ' GLN . 19.2 mmtp -81.72 -38.03 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.87 -4.67 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.583 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.519 ' H ' ' C ' ' A' ' 15' ' ' LYS . 81.4 mm-40 -57.8 -26.88 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.488 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -125.59 117.14 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.469 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.25 -14.14 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.469 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 18' ' ' LEU . 33.8 m-20 -88.35 -14.72 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -77.94 -51.54 10.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.4 m -48.51 -62.09 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.502 -178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.24 -50.49 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 -179.669 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -52.73 -61.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.625 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 29' ' ' ASP . 90.1 m-20 -62.71 -43.17 99.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.629 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -61.84 -34.58 76.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.3 mtpp -81.79 -35.38 29.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -83.28 -24.73 32.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.507 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' ASP . 51.1 m-20 -92.04 -62.58 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.483 -176.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 57.6 mmtt -109.01 -3.56 17.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 -176.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.7 m-70 66.59 59.6 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -86.48 -164.84 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.543 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -116.12 -49.56 2.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 4.9 p -123.0 -10.94 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.618 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.54 67.5 0.32 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -86.29 146.12 26.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.5 m -86.84 155.24 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 74.2 m-85 -147.63 169.95 18.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CE1' HD21 ' A' ' 45' ' ' LEU . 78.2 m-85 -98.74 124.47 43.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -103.4 -162.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.81 -25.43 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -95.71 18.32 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.637 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 43.83 25.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.58 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -96.98 150.49 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.512 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.469 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.2 mt -81.4 109.25 15.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.6 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -111.5 122.7 48.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.5 m -60.22 110.07 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.0 mt -99.53 117.49 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.558 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 87.8 m -76.57 119.4 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.593 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' OD1' HG22 ' A' ' 48' ' ' ILE . 3.2 m-20 -111.44 116.48 30.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.71 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -106.56 62.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 177.679 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.71 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.1 m -172.89 -167.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -105.42 73.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.613 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 179.685 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.878 0.37 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.25 -34.66 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m -64.24 -29.85 70.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.289 0.566 . . . . 0.0 110.718 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -79.02 116.71 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.582 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' ILE . 46.5 mttm -123.29 140.41 53.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.64 HG22 HG12 ' A' ' 48' ' ' ILE . 22.6 t -106.95 127.97 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.761 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.754 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 3.1 p90 -140.97 110.33 6.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 11' ' ' TYR . 73.6 mt-10 -73.18 -81.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.704 -175.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 80.7 m-20 61.07 -57.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.281 -175.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.822 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 53.8 p90 -120.77 105.61 40.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.349 174.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 14' ' ' SER . 53.3 Cg_exo -47.65 -176.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.017 2.478 . . . . 0.0 112.419 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.474 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -49.32 -9.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.527 -177.605 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 12' ' ' PRO . 46.6 m -40.69 -49.96 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.478 -177.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.571 ' HZ2' ' HB2' ' A' ' 11' ' ' TYR . 59.2 mttp -83.57 -34.55 25.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' CB ' ' A' ' 45' ' ' LEU . 42.0 t -51.37 -5.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.567 -177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' A' ' 15' ' ' LYS . 78.2 mm-40 -57.13 -21.25 31.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -128.13 116.54 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.553 178.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.48 -15.15 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.488 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -87.91 -12.21 45.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.1 tm0? -78.75 -51.08 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 56.1 m -49.63 -60.93 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.78 -50.04 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -52.7 -61.2 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 29' ' ' ASP . 79.3 m-20 -62.64 -42.29 99.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -58.77 -40.6 84.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 19.7 mtpp -75.43 -36.92 60.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.56 -23.61 34.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.587 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 25' ' ' ASP . 66.4 m-20 -91.36 -61.18 1.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -114.15 -0.69 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 19.8 m-70 65.77 58.71 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -86.7 -168.62 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -117.36 -41.33 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 8.0 p -122.86 -19.66 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.626 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.17 68.23 0.26 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -92.66 147.56 22.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.549 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.647 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -83.65 155.26 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.641 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.446 ' CD1' HD12 ' A' ' 48' ' ' ILE . 84.6 m-85 -148.71 169.82 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CE1' HD21 ' A' ' 45' ' ' LEU . 77.3 m-85 -98.6 124.09 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.518 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -103.38 -156.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.618 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.82 -24.55 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' A' ' 44' ' ' ASN . 49.6 mtpt -97.21 19.77 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 43.14 23.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.563 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 42' ' ' LYS . 42.7 m-20 -95.18 149.08 21.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.474 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.3 mt -80.49 108.51 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -111.68 125.12 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.1 m -62.83 109.33 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.64 HG12 HG22 ' A' ' 7' ' ' VAL . 11.6 mt -98.81 117.14 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 84.7 m -78.74 113.6 16.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -106.6 119.73 40.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.605 -178.239 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.68 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -109.86 62.41 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 177.246 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.0 m -171.98 -167.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 -178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -104.8 75.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.7 p90 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.503 179.512 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.818 0.342 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -80.3 -52.91 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.613 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.4 m -64.54 -34.41 78.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.786 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -75.66 116.1 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.672 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' ILE . 54.0 mttp -124.15 138.07 54.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 7' ' ' VAL . 11.8 p -109.39 128.05 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.681 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 6.6 p90 -137.14 115.25 11.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.497 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.614 ' O ' ' N ' ' A' ' 11' ' ' TYR . 79.4 mt-10 -69.15 -82.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.724 -176.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 95.6 m-20 60.27 -59.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.331 -175.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.774 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 40.3 p90 -122.11 106.87 35.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.355 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.55 ' O ' ' N ' ' A' ' 14' ' ' SER . 53.2 Cg_exo -47.56 -176.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.039 2.493 . . . . 0.0 112.397 -177.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -47.15 -11.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.54 -178.181 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 12' ' ' PRO . 19.7 m -41.98 -48.75 4.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.639 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 17' ' ' GLN . 64.4 mmtt -82.29 -40.52 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.463 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 53.8 t -51.82 -4.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.614 -177.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 15' ' ' LYS . 81.0 mm-40 -56.61 -25.53 53.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 20' ' ' ASN . 7.6 mt -124.45 115.63 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 178.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.07 -13.65 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.471 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 18' ' ' LEU . 41.8 m-20 -87.44 -17.05 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.601 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.401 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 1.8 tm0? -77.86 -49.99 13.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.66 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.6 m -48.75 -62.66 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.81 -50.18 14.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.616 -179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -53.19 -60.7 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.603 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' ASP . 92.5 m-20 -63.02 -43.07 99.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.646 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.89 -34.45 74.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 71.8 mttt -80.29 -37.39 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.52 -23.96 34.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 25' ' ' ASP . 64.5 m-20 -90.77 -61.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 -176.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -113.09 -2.13 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.549 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.6 m-70 66.24 61.02 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.613 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -88.45 -165.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -116.42 -47.63 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.452 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 26.2 p -123.86 -11.09 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 36.16 66.4 0.44 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -83.12 146.9 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.56 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.66 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -91.26 155.17 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 73.2 m-85 -147.11 168.76 20.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.478 178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 45' ' ' LEU . 61.0 m-85 -96.72 128.7 43.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -104.15 -160.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.19 -22.06 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ASN . 24.4 mtmm -98.43 21.1 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.591 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 44.57 18.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LYS . 48.8 m-20 -92.09 150.04 21.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.605 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.9 mt -82.77 121.68 27.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -121.84 121.5 37.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.3 m -60.7 112.51 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.5 mt -102.01 117.41 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 92.7 m -76.27 119.41 20.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -112.04 115.06 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 -178.097 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.686 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER -106.01 62.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.533 177.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.686 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.8 m -172.51 -167.54 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.537 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -100.5 75.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.565 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.846 0.355 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -61.9 -17.77 57.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.624 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.4 -32.04 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.155 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -74.86 116.99 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.601 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' ILE . 43.9 mtmt -125.2 137.14 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.543 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.6 p -110.65 130.27 64.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.593 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.674 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 9.4 p90 -139.6 113.95 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.528 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.593 ' O ' ' N ' ' A' ' 11' ' ' TYR . 85.4 mt-10 -68.66 -86.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.754 -175.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 79.2 m-20 61.63 -57.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.345 -175.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.819 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.2 p90 -121.44 105.06 39.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.371 174.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 51.5 Cg_exo -48.28 -177.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.063 2.509 . . . . 0.0 112.471 -176.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -48.93 -10.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -178.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 11.9 t -40.8 -51.53 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 -178.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' A' ' 17' ' ' GLN . 55.6 mttm -83.55 -37.57 22.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 41.4 t -51.59 -4.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -177.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.583 ' H ' ' C ' ' A' ' 15' ' ' LYS . 77.3 mm-40 -55.92 -23.16 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.419 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.7 mt -124.2 112.14 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.455 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.64 -12.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.509 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' LEU . 56.6 m-20 -86.95 -27.0 23.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.6 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.5 tm0? -67.95 -47.28 69.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 55.6 m -50.37 -61.19 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.581 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.45 -49.4 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.42 -59.98 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' ASP . 73.9 m-20 -62.76 -43.58 98.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -61.98 -34.84 76.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.644 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 50.8 mtpt -80.01 -35.82 36.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.2 -24.72 29.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' ASP . 49.4 m-20 -89.97 -61.39 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -176.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 59.5 mmtt -111.9 -6.38 14.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.54 -176.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 20.0 m-70 70.1 61.39 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.64 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -89.26 -166.97 1.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -117.26 -44.24 2.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.573 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 10.4 p -122.77 -14.61 7.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.684 -177.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.93 66.23 0.43 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.99 147.19 26.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.585 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -91.46 154.97 18.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' HD12 ' A' ' 48' ' ' ILE . 90.6 m-85 -147.56 163.25 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 178.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 45' ' ' LEU . 68.0 m-85 -90.08 128.53 36.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.1 -153.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.623 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.09 -20.55 61.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.564 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' ASN . 25.6 mtmm -100.62 21.67 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.06 17.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' LYS . 50.4 m-20 -92.36 150.29 20.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.582 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 39' ' ' TYR . 5.4 mt -83.39 118.41 23.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -117.16 121.27 40.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.495 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 41.1 m -60.11 112.76 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.7 mt -103.5 118.94 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.631 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 95.5 m -77.03 122.0 24.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.597 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -116.58 115.22 25.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 -178.166 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.674 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -108.64 61.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 177.279 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 11.6 m -170.57 -167.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.1 mt-10 -100.72 72.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.638 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 23.2 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.761 0.315 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -77.47 -46.63 21.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -62.8 -25.17 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -85.36 115.79 23.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 110.575 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 48' ' ' ILE . 55.3 mttp -123.7 137.79 54.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.585 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.7 p -110.55 127.02 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.603 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.673 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 9.8 p90 -137.57 113.85 10.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 11' ' ' TYR . 78.6 mt-10 -68.63 -84.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.723 -175.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 92.4 m-20 60.85 -57.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.307 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.821 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.6 p90 -121.49 104.83 39.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.338 174.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.0 Cg_exo -48.12 -177.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.012 2.474 . . . . 0.0 112.4 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -49.02 -10.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.594 -178.221 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 18.6 m -40.93 -50.82 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.536 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' A' ' 17' ' ' GLN . 24.6 mttp -83.99 -37.92 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.467 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.5 t -51.55 -4.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.543 -177.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.587 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.1 mm-40 -56.03 -23.37 32.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.1 mt -124.25 112.31 16.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.559 177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.63 -13.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.528 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.473 ' N ' ' C ' ' A' ' 18' ' ' LEU . 54.2 m-20 -86.49 -25.1 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.4 tm0? -70.28 -48.38 57.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 -178.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 53.0 m -49.73 -60.61 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.58 -49.62 13.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.567 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.86 -59.18 4.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.585 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.442 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 74.8 m-20 -63.11 -43.68 97.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -63.05 -31.99 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.587 -179.671 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.0 mttm -81.85 -36.84 27.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.95 -24.47 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.552 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 25' ' ' ASP . 44.8 m-20 -89.35 -60.9 1.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 62.0 mmtt -114.88 -2.32 12.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.502 -176.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.538 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.0 m-70 66.12 64.39 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.679 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -90.7 -164.82 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -115.93 -48.12 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.596 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 25.8 m -124.17 -10.32 7.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.532 -177.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 36.14 67.39 0.37 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -84.27 145.75 28.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.626 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -90.7 155.43 18.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 78.1 m-85 -147.48 169.66 19.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.424 ' CE1' HD21 ' A' ' 45' ' ' LEU . 71.1 m-85 -97.13 123.96 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.544 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -102.3 -157.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -66.15 -23.48 66.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.591 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.621 ' NZ ' ' ND2' ' A' ' 44' ' ' ASN . 7.6 mtpm? -96.68 19.57 12.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 43.1 22.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.621 ' ND2' ' NZ ' ' A' ' 42' ' ' LYS . 57.1 m-20 -96.94 151.83 19.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.539 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 39' ' ' TYR . 4.6 mt -81.95 112.5 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.595 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -112.71 121.25 44.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.512 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 36.1 m -59.95 112.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.612 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 6' ' ' LYS . 7.5 mt -102.39 119.2 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.602 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.679 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 94.2 m -77.37 122.08 24.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.491 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' OD1' HG22 ' A' ' 48' ' ' ILE . 3.4 m-20 -114.6 110.72 20.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.639 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.719 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -101.18 61.32 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 178.037 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.719 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 12.8 m -172.39 -167.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.0 mt-10 -107.11 73.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' GLU . 36.9 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.783 0.325 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -58.14 -37.27 74.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.618 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.2 m -63.96 -30.71 71.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.1 0.476 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -76.65 116.6 17.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.531 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 48' ' ' ILE . 63.6 mttm -124.36 137.22 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 7' ' ' VAL . 11.8 p -108.63 128.16 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.663 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.687 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 4.8 p90 -138.38 115.16 10.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.497 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.613 ' O ' ' N ' ' A' ' 11' ' ' TYR . 73.3 mt-10 -69.6 -81.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.709 -176.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 91.8 m-20 60.49 -59.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.331 -175.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.728 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 37.4 p90 -121.65 106.61 37.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.399 173.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 14' ' ' SER . 71.2 Cg_exo -46.15 -176.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.093 2.529 . . . . 0.0 112.373 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.508 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -47.94 -10.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 -177.426 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.54 ' H ' ' C ' ' A' ' 12' ' ' PRO . 23.2 m -41.68 -49.45 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.468 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 17' ' ' GLN . 65.2 mmtt -80.99 -39.91 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.464 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.4 t -51.46 -7.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.523 ' H ' ' C ' ' A' ' 15' ' ' LYS . 72.5 mt-30 -59.64 -19.8 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.45 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 20' ' ' ASN . 10.1 mt -128.1 110.76 12.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.477 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.21 -13.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.434 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 18' ' ' LEU . 52.4 m-20 -86.92 -17.35 33.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.556 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -78.53 -50.71 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.568 -178.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 63.1 m -48.07 -62.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.516 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.52 -50.76 16.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.626 -179.647 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -51.94 -61.13 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.642 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' ASP . 90.0 m-20 -63.02 -43.38 98.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.06 -36.81 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.686 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 6.3 mtpm? -79.8 -35.89 37.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.02 -24.12 32.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.554 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' ASP . 69.5 m-20 -91.75 -62.29 1.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.507 -176.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -111.1 -2.14 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.549 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.4 m-70 66.09 59.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.674 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -86.86 -164.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -115.48 -51.37 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.517 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 43.0 t -123.92 -8.11 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.599 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.91 67.56 0.34 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -83.82 145.48 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -88.72 156.36 19.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.644 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 74.9 m-85 -147.45 169.18 20.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.499 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.466 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 58.8 m-85 -99.75 126.93 45.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -103.24 -162.66 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.78 -26.86 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.633 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -95.38 18.67 12.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 45.98 23.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.607 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -92.11 146.07 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.556 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.508 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 2.4 mt -81.97 111.75 18.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -114.28 121.83 44.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.532 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.2 m -60.76 111.49 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.8 mt -100.69 118.07 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -178.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 85.4 m -77.2 119.18 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.538 178.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -111.74 116.84 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -178.222 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.697 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -107.52 62.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 177.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.697 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -172.43 -167.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -104.41 73.71 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.535 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 179.558 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.835 0.35 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -58.15 -35.66 71.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.671 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.7 m -64.09 -24.64 67.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -84.52 115.84 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 48' ' ' ILE . 7.5 mtpm? -124.42 139.49 53.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.3 p -112.85 128.92 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.627 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.666 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 11.7 p90 -139.02 114.14 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.453 177.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.606 ' O ' ' N ' ' A' ' 11' ' ' TYR . 83.2 mt-10 -67.73 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.703 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 86.1 m-20 61.01 -58.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.36 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.824 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 54.3 p90 -121.54 105.51 38.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 174.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 14' ' ' SER . 50.8 Cg_exo -48.5 -177.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.086 2.524 . . . . 0.0 112.375 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.2 p -49.6 -9.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.608 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 12' ' ' PRO . 85.4 p -41.3 -50.61 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.585 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 17' ' ' GLN . 56.8 mttp -83.29 -39.06 21.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 40.6 t -51.31 -4.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 15' ' ' LYS . 79.2 mm-40 -55.94 -23.19 30.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.497 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 20' ' ' ASN . 8.5 mt -124.32 115.63 21.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.494 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.84 -13.55 0.29 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 18' ' ' LEU . 53.4 m-20 -87.56 -16.85 33.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.9 tm0? -78.39 -50.78 11.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.548 -178.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 52.6 m -48.95 -60.17 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.51 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.64 -49.92 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -54.08 -58.37 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.576 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' A' ' 21' ' ' GLN . 73.5 m-20 -63.51 -44.57 93.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.656 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -62.35 -32.33 73.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.569 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.8 mttm -81.25 -37.76 28.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -83.49 -24.7 31.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASP . 38.6 m-20 -88.63 -60.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 -176.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -115.23 -2.53 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.494 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 17.9 m-70 65.65 65.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.699 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.681 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -90.55 -161.5 0.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -115.53 -51.67 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 36.6 t -125.13 -6.43 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -178.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 36.36 67.45 0.38 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -83.43 146.07 28.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.577 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -92.8 154.12 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.453 ' CD1' HD12 ' A' ' 48' ' ' ILE . 92.5 m-85 -148.82 147.79 29.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.568 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.742 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 25.0 m-85 -73.63 125.5 28.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.52 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -104.14 -162.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.64 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.51 -24.66 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.567 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 44' ' ' ASN . 51.8 mtpt -91.05 18.71 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.593 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 46.27 18.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 42' ' ' LYS . 60.5 m-20 -102.48 152.05 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.742 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 16.3 mt -80.82 122.97 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.596 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -119.28 120.21 36.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.569 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.501 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 36.9 m -59.79 111.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.7 mt -101.45 118.97 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.681 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 89.8 m -77.71 120.21 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.536 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -113.01 110.54 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.638 -178.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.735 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -100.36 61.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.521 177.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.735 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 13.6 m -173.18 -167.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.52 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -108.5 73.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.528 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.589 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.839 0.352 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -73.96 -38.87 64.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.2 m -64.06 -36.22 83.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.145 0.498 . . . . 0.0 111.392 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HZ2' ' HB3' ' A' ' 54' ' ' TYR . 48.4 mmtt -74.03 116.36 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.605 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 48' ' ' ILE . 58.9 mttp -123.1 140.14 53.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.9 p -112.82 130.25 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.1 p90 -140.9 114.02 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.605 ' O ' ' N ' ' A' ' 11' ' ' TYR . 81.2 mt-10 -68.26 -84.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 -176.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 83.3 m-20 61.01 -57.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.342 -175.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.826 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.2 p90 -121.15 105.41 39.85 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.385 174.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.9 Cg_exo -47.84 -176.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.984 2.456 . . . . 0.0 112.453 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.513 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -50.34 -9.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.508 -177.46 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 12' ' ' PRO . 16.4 t -40.73 -49.2 3.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.543 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 17' ' ' GLN . 59.3 mttm -83.28 -36.73 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.427 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.6 t -51.11 -5.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 15' ' ' LYS . 80.5 mm-40 -57.19 -23.29 46.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 20' ' ' ASN . 9.2 mt -126.32 115.57 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.469 178.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -13.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 18' ' ' LEU . 49.5 m-20 -87.54 -15.55 37.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.632 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 2.8 tm0? -78.41 -50.08 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.495 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.646 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 55.6 m -49.28 -60.26 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.587 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.528 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -45.61 -50.04 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.594 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -53.24 -60.37 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 29' ' ' ASP . 75.9 m-20 -62.3 -44.0 97.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -61.89 -35.01 77.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -179.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 20.3 mtpp -80.06 -35.6 36.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -84.13 -24.69 30.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 25' ' ' ASP . 53.1 m-20 -90.22 -61.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.425 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 60.3 mmtt -112.47 -2.33 14.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.531 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.5 m-70 66.09 61.84 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.611 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.674 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -88.52 -164.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.563 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -115.04 -49.31 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 21.7 t -123.78 -10.54 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.618 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.88 68.44 0.29 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -86.83 143.79 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.584 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.3 m -83.59 155.6 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 69.0 m-85 -146.65 168.97 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 66.4 m-85 -98.31 126.1 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -103.7 -159.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.62 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.83 -20.87 66.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' C ' ' N ' ' A' ' 44' ' ' ASN . 25.2 mtpp -99.7 19.54 15.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 45.46 21.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.56 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 42' ' ' LYS . 40.1 m-20 -93.57 148.53 22.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.539 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.513 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 3.2 mt -82.05 109.78 16.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -111.08 122.85 48.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.48 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 38.5 m -60.67 111.89 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 6' ' ' LYS . 6.3 mt -102.46 119.39 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.509 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.674 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 96.8 m -77.78 120.93 23.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.476 ' OD1' HG22 ' A' ' 48' ' ' ILE . 8.7 m-20 -114.64 112.27 22.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 -178.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.688 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -104.94 61.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.594 176.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.688 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.7 m -171.82 -167.61 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -99.92 75.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.501 ' HB3' ' HZ2' ' A' ' 5' ' ' LYS . 10.9 p90 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.596 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.789 0.328 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -58.08 -37.1 73.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.683 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.6 m -64.24 -27.37 69.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.225 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -80.82 116.17 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.515 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 48' ' ' ILE . 64.2 mttm -125.51 140.33 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.8 p -113.94 129.78 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.572 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.669 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.9 p90 -138.05 115.35 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.628 ' O ' ' N ' ' A' ' 11' ' ' TYR . 78.0 mt-10 -66.65 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.711 -176.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 59.82 -59.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.338 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.76 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 32.1 p90 -121.91 108.29 34.86 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.401 173.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' C ' ' H ' ' A' ' 14' ' ' SER . 71.1 Cg_exo -46.14 -176.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.025 2.483 . . . . 0.0 112.437 -177.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.3 p -48.81 -10.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.54 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.542 ' H ' ' C ' ' A' ' 12' ' ' PRO . 18.2 t -42.34 -43.26 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 17' ' ' GLN . 19.2 mmtp -84.15 -42.5 15.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.439 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.613 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.2 m -50.21 -5.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 -177.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 15' ' ' LYS . 82.9 mm-40 -57.63 -27.14 62.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.471 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.4 mt -125.94 112.31 15.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.548 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.99 -12.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.471 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' LEU . 36.0 m-20 -86.82 -29.87 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.614 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.439 HE22 ' CG ' ' A' ' 25' ' ' ASP . 2.1 tm0? -64.85 -50.09 67.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.542 -178.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 68.5 m -49.34 -62.35 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 -178.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -44.22 -50.13 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.666 -179.469 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.31 -60.45 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.653 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ASP . 95.2 m-20 -64.51 -44.3 91.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.642 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.84 -32.97 72.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.627 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 41.6 mttm -81.74 -38.24 26.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -82.38 -23.83 34.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' ASP . 62.7 m-20 -90.71 -61.25 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 58.0 mmtt -112.92 -4.44 13.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.7 m-70 67.96 62.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.658 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.665 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -89.02 -165.92 1.47 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -116.76 -47.1 2.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 32.9 t -122.89 -12.21 8.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.626 -177.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.95 67.84 0.33 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -92.15 147.65 22.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.621 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 18.4 m -93.23 152.97 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.58 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -148.61 143.09 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.655 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 62.8 m-85 -64.73 125.33 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -104.01 -160.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.631 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.39 -22.09 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' A' ' 44' ' ' ASN . 24.5 mtmm -97.49 21.06 10.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 44.05 21.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' C ' ' A' ' 42' ' ' LYS . 56.4 m-20 -100.9 150.51 22.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.655 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 70.1 mt -83.36 107.69 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.605 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -108.42 121.53 45.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.54 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 57.4 m -58.23 112.78 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.539 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 6' ' ' LYS . 4.7 mt -101.09 117.22 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 91.8 m -77.28 115.15 16.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.6 OUTLIER -108.42 115.87 30.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.504 -178.246 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.714 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -105.1 62.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.51 177.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.2 m -172.96 -167.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -108.56 73.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.545 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.512 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.876 0.37 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -68.18 -53.49 24.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.8 m -85.37 -39.65 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.361 0.6 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 5' ' ' LYS . 26.6 mmtp -67.48 117.33 9.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.593 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 48' ' ' ILE . 64.3 mttm -123.74 137.57 54.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -114.37 131.33 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.657 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 13.3 p90 -143.02 114.6 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 177.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 11' ' ' TYR . 87.5 mt-10 -67.12 -86.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.711 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 86.9 m-20 61.9 -58.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.357 -175.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.814 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 55.2 p90 -121.81 104.69 38.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.388 174.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 14' ' ' SER . 52.2 Cg_exo -49.21 -174.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.042 2.495 . . . . 0.0 112.38 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' H ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -49.66 -9.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.512 -177.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 12' ' ' PRO . 15.4 t -40.69 -52.54 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' GLN . 60.7 mttm -82.2 -37.04 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.472 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 45' ' ' LEU . 49.3 t -48.35 -10.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -177.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.544 ' N ' ' O ' ' A' ' 15' ' ' LYS . 43.6 mt-30 -59.21 -12.03 4.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.478 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' ASN . 10.7 mt -134.44 109.02 8.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.06 -14.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 18' ' ' LEU . 48.8 m-20 -86.54 -16.65 36.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' OE1' ' OD2' ' A' ' 25' ' ' ASP . 3.4 tm0? -78.71 -47.52 16.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 51.3 m -49.82 -61.81 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -45.66 -49.35 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -52.95 -60.19 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ASP . 60.0 m-20 -63.52 -43.41 97.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.659 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -62.58 -32.69 73.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 49.6 mtpt -81.42 -36.28 29.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.498 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.96 -24.51 30.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ASP . 43.2 m-20 -89.9 -61.45 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 56.9 mmtt -112.67 -3.35 14.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.509 -176.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 18.8 m-70 67.52 60.38 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.68 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.661 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . . . -87.22 -170.08 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.543 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -118.18 -37.52 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.617 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.449 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 6.9 p -123.73 -19.82 5.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -177.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 22' ' ' CYS . . . 35.7 67.88 0.31 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -91.75 147.06 23.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.582 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.4 m -85.08 157.48 20.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.578 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 37' ' ' CYS . 72.2 m-85 -147.21 171.87 14.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 67.1 m-85 -103.28 121.24 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 81.5 m-20 -98.65 -160.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.49 -25.69 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.515 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -95.34 18.81 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.6 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 43.75 26.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -94.67 151.16 19.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.544 ' H ' ' CG1' ' A' ' 13' ' ' VAL . 2.1 mt -85.76 109.48 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' OE1' ' OD2' ' A' ' 40' ' ' ASP . 3.4 mt-30 -118.37 125.37 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.507 ' SG ' ' OH ' ' A' ' 11' ' ' TYR . 30.8 m -61.02 117.9 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.685 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 6' ' ' LYS . 8.7 mt -108.22 115.5 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.56 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.661 ' CB ' ' HB2' ' A' ' 32' ' ' ALA . 86.6 m -72.37 121.57 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.55 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.7 OUTLIER -118.82 112.74 20.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -178.249 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.82 64.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 177.177 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.0 m -171.03 -168.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.587 -178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -102.71 76.33 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.0 p90 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.581 179.643 . . . . . . . . 0 0 . 1 stop_ save_